#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii7 s HIS 291 N 0.00 3.02 -0.40 5.64 4.02 -1.26 -4.70 115.29 121.61 3ii7 s HIS 291 Ca 0.00 1.54 0.05 0.00 1.02 0.00 0.00 55.06 57.67 3ii7 s HIS 291 Cb 0.00 -3.03 0.17 0.00 -1.02 0.00 0.00 32.58 28.70 3ii7 s HIS 291 CO 0.00 -0.92 0.49 0.34 1.02 0.00 0.00 174.74 175.67 3ii7 s ASP 292 N -2.38 0.05 0.23 1.40 -1.08 -1.26 -5.00 116.67 108.63 3ii7 s ASP 292 Ca 0.65 -1.48 -0.19 0.00 -0.52 0.00 0.00 52.55 51.01 3ii7 s ASP 292 Cb -0.16 1.07 -0.08 0.00 -1.46 0.00 0.00 42.92 42.29 3ii7 s ASP 292 CO 0.28 -0.20 0.73 -0.31 0.52 0.00 0.00 175.17 176.19 3ii7 s TYR 293 N 1.37 3.62 0.06 -5.34 1.51 -1.26 -1.33 117.35 115.99 3ii7 s TYR 293 Ca 0.19 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.64 3ii7 s TYR 293 Cb -0.09 -2.62 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 3ii7 s TYR 293 CO -0.05 0.31 -0.05 1.03 -1.11 0.00 0.00 175.55 175.68 3ii7 s ARG 294 N -2.08 0.64 -0.26 -0.62 1.81 -0.38 -4.65 118.95 113.41 3ii7 s ARG 294 Ca 0.44 -1.12 -0.08 0.00 -1.72 0.00 0.00 55.73 53.25 3ii7 s ARG 294 Cb -0.16 -0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.31 3ii7 s ARG 294 CO 0.21 -0.05 0.09 0.42 -0.68 0.00 0.00 175.30 175.28 3ii7 s ILE 295 N -3.18 4.38 -0.18 1.52 1.01 -0.27 -0.39 121.20 124.10 3ii7 s ILE 295 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 3ii7 s ILE 295 Cb 0.02 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3ii7 s ILE 295 CO -0.06 0.28 0.10 0.00 0.00 0.00 0.00 174.94 175.27 3ii7 s ALA 296 N 1.62 3.61 -0.10 9.38 0.00 0.35 -0.01 121.76 136.61 3ii7 s ALA 296 Ca 0.06 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3ii7 s ALA 296 Cb -0.15 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 3ii7 s ALA 296 CO 0.04 0.26 -0.23 -0.51 0.00 0.00 0.00 175.76 175.33 3ii7 s LEU 297 N 0.07 2.18 -0.14 0.00 1.02 0.50 -1.83 118.68 120.48 3ii7 s LEU 297 Ca 0.08 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.73 3ii7 s LEU 297 Cb -0.12 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.67 3ii7 s LEU 297 CO -0.00 0.17 -0.20 -0.36 0.02 0.00 0.00 176.35 175.98 3ii7 s PHE 298 N 0.28 2.56 0.00 0.29 0.40 0.53 -1.14 117.98 120.91 3ii7 s PHE 298 Ca -0.16 -1.34 0.19 0.00 -0.60 0.00 0.00 56.93 55.02 3ii7 s PHE 298 Cb -0.17 -1.77 0.32 0.00 0.51 0.00 0.00 43.02 41.91 3ii7 s PHE 298 CO 0.08 -0.64 1.12 0.41 0.70 0.00 0.00 175.22 176.89 3ii7 n GLY 299 N 4.24 0.87 0.00 4.36 0.00 0.65 -0.96 105.19 114.36 3ii7 n GLY 299 Ca -0.20 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3ii7 n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii7 n GLY 300 N 0.37 -0.29 0.35 -0.02 0.00 -1.26 -4.67 105.19 99.67 3ii7 n GLY 300 Ca 0.04 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 44.07 3ii7 n GLY 300 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ii7 n SER 301 N 0.00 1.74 -4.79 1.61 3.41 -1.11 -4.47 113.62 110.01 3ii7 n SER 301 Ca 0.00 -1.37 -0.33 0.00 -0.26 0.00 0.00 58.87 56.91 3ii7 n SER 301 Cb 0.00 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3ii7 n SER 301 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ii7 s GLN 302 N -0.72 3.13 0.31 4.33 -1.52 -1.26 -4.90 119.66 119.02 3ii7 s GLN 302 Ca 0.10 1.33 -0.29 0.00 -1.95 0.00 0.00 55.36 54.55 3ii7 s GLN 302 Cb 0.07 -2.00 -0.13 0.00 -0.22 0.00 0.00 33.01 30.74 3ii7 s GLN 302 CO 0.11 -0.98 1.31 -2.30 -0.25 0.00 0.00 175.29 173.18 3ii7 n PRO 303 N -2.07 2.06 -1.26 2.91 -0.02 -1.26 -1.59 135.00 133.76 3ii7 n PRO 303 Ca 0.10 0.72 -0.09 0.00 -2.02 0.00 0.00 63.50 62.21 3ii7 n PRO 303 Cb 0.52 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 3ii7 n PRO 303 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ii7 n GLN 304 N 1.03 -1.29 0.00 -0.52 3.00 -1.26 -4.87 117.38 113.48 3ii7 n GLN 304 Ca 0.07 0.76 0.12 0.00 -0.01 0.00 0.00 57.00 57.94 3ii7 n GLN 304 Cb 0.34 -4.91 0.26 0.00 0.00 0.00 0.00 30.24 25.93 3ii7 n GLN 304 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3ii7 n SER 305 N -0.65 0.49 -4.01 1.08 7.64 -0.62 -4.69 113.62 112.86 3ii7 n SER 305 Ca -0.09 -0.18 -0.25 0.00 1.01 0.00 0.00 58.87 59.36 3ii7 n SER 305 Cb 0.46 0.21 -0.17 0.00 -1.01 0.00 0.00 64.21 63.70 3ii7 n SER 305 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ii7 s ARG 307 N 0.75 0.78 -0.05 0.00 0.52 -0.29 -0.94 118.95 119.72 3ii7 s ARG 307 Ca -0.13 -0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 3ii7 s ARG 307 Cb -0.16 0.35 -0.05 0.00 0.52 0.00 0.00 34.95 35.61 3ii7 s ARG 307 CO 0.03 -0.24 0.40 0.71 0.02 0.00 0.00 175.30 176.22 3ii7 s TYR 308 N -1.86 3.64 -0.18 -0.53 2.02 0.51 -0.37 117.35 120.58 3ii7 s TYR 308 Ca -0.10 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 57.39 3ii7 s TYR 308 Cb -0.03 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.13 3ii7 s TYR 308 CO 0.01 0.48 0.22 0.12 -1.57 0.00 0.00 175.55 174.81 3ii7 s PHE 309 N -0.45 3.44 -0.38 2.71 5.36 0.98 -0.68 117.98 128.96 3ii7 s PHE 309 Ca 0.23 0.48 -0.08 0.00 -0.96 0.00 0.00 56.93 56.59 3ii7 s PHE 309 Cb -0.16 -2.25 0.06 0.00 -0.34 0.00 0.00 43.02 40.33 3ii7 s PHE 309 CO 0.11 0.27 0.20 1.21 -1.46 0.00 0.00 175.22 175.55 3ii7 s ASN 310 N 0.38 5.54 0.59 6.13 3.84 -0.24 -1.11 114.94 130.07 3ii7 s ASN 310 Ca 0.13 -1.31 0.32 0.00 0.21 0.00 0.00 52.86 52.21 3ii7 s ASN 310 Cb -0.12 -1.95 1.86 0.00 -0.55 0.00 0.00 41.25 40.49 3ii7 s ASN 310 CO 0.01 -0.44 2.24 -0.65 -2.79 0.00 0.00 177.10 175.47 3ii7 h PRO 311 N 8.34 0.00 -0.33 0.43 0.11 -1.88 0.16 132.00 138.82 3ii7 h PRO 311 Ca -0.23 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.75 3ii7 h PRO 311 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3ii7 h PRO 311 CO 0.69 0.02 -0.33 0.87 -0.21 0.00 0.00 178.00 179.04 3ii7 h LYS 312 N 0.00 0.74 0.00 1.05 1.57 -1.93 -3.35 116.57 114.64 3ii7 h LYS 312 Ca -0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3ii7 h LYS 312 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ii7 h LYS 312 CO 0.00 0.96 0.00 -0.40 -0.57 0.00 0.00 179.45 179.45 3ii7 n ASP 313 N -4.07 1.11 -1.84 0.86 5.68 -1.06 -5.01 116.55 112.23 3ii7 n ASP 313 Ca -0.01 -1.33 -0.20 0.00 -0.50 0.00 0.00 54.79 52.75 3ii7 n ASP 313 Cb 0.49 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.41 3ii7 n ASP 313 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3ii7 n TYR 314 N -0.16 -0.35 -3.08 2.11 4.01 0.54 -4.99 117.16 115.23 3ii7 n TYR 314 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3ii7 n TYR 314 Cb 0.16 -3.60 -0.04 0.00 -0.31 0.00 0.00 39.34 35.55 3ii7 n TYR 314 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ii7 s SER 315 N -2.53 6.54 -0.13 7.72 1.04 -1.21 -4.84 113.70 120.29 3ii7 s SER 315 Ca 0.00 1.01 -0.01 0.00 0.48 0.00 0.00 55.95 57.43 3ii7 s SER 315 Cb 0.00 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.83 3ii7 s SER 315 CO 0.00 -0.29 -0.11 0.26 0.98 0.00 0.00 173.24 174.09 3ii7 s TRP 316 N -2.19 2.86 -0.05 5.02 0.52 -1.26 -1.08 118.94 122.77 3ii7 s TRP 316 Ca 0.49 -0.50 0.03 0.00 0.02 0.00 0.00 56.10 56.14 3ii7 s TRP 316 Cb -0.10 -1.85 0.01 0.00 -1.15 0.00 0.00 33.47 30.37 3ii7 s TRP 316 CO 0.28 -0.12 -0.11 0.99 0.02 0.00 0.00 176.95 178.01 3ii7 s THR 317 N 0.23 1.01 0.34 2.01 2.01 0.15 -4.96 115.64 116.43 3ii7 s THR 317 Ca -0.07 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 3ii7 s THR 317 Cb -0.15 -0.91 -0.11 0.00 0.01 0.00 0.00 72.50 71.34 3ii7 s THR 317 CO 0.05 0.32 1.45 -1.81 -0.69 0.00 0.00 174.62 173.94 3ii7 s ASP 318 N 0.41 6.49 -0.20 3.53 1.01 -1.26 -0.36 116.67 126.29 3ii7 s ASP 318 Ca -0.08 2.90 -0.02 0.00 0.71 0.00 0.00 52.55 56.05 3ii7 s ASP 318 Cb -0.12 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.15 3ii7 s ASP 318 CO 0.02 -0.78 -0.08 -0.63 0.21 0.00 0.00 175.17 173.91 3ii7 s ILE 319 N -0.82 3.14 0.08 0.77 1.01 -0.11 -4.82 121.20 120.46 3ii7 s ILE 319 Ca 0.54 -0.58 -0.31 0.00 0.00 0.00 0.00 60.65 60.30 3ii7 s ILE 319 Cb -0.45 -2.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.56 3ii7 s ILE 319 CO 0.56 0.46 1.30 -0.13 0.00 0.00 0.00 174.94 177.13 3ii7 s ARG 320 N 1.22 4.37 -0.06 2.79 0.52 -1.26 -4.35 118.95 122.18 3ii7 s ARG 320 Ca 0.02 1.92 -0.01 0.00 -0.52 0.00 0.00 55.73 57.14 3ii7 s ARG 320 Cb -0.14 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.04 3ii7 s ARG 320 CO -0.03 -0.36 0.01 0.00 0.02 0.00 0.00 175.30 174.94 3ii7 n PRO 322 N 5.01 2.65 -4.79 0.00 -0.04 -1.26 -4.38 135.00 132.20 3ii7 n PRO 322 Ca -0.09 -2.00 -0.33 0.00 -0.04 0.00 0.00 63.50 61.04 3ii7 n PRO 322 Cb 0.50 -1.59 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 3ii7 n PRO 322 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ii7 s PHE 323 N -1.56 2.79 0.73 0.54 0.08 -1.26 -4.99 117.98 114.31 3ii7 s PHE 323 Ca 0.36 -0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.16 3ii7 s PHE 323 Cb 0.21 -1.68 0.04 0.00 -0.57 0.00 0.00 43.02 41.02 3ii7 s PHE 323 CO 0.21 0.21 1.09 -1.21 -0.10 0.00 0.00 175.22 175.42 3ii7 s GLU 324 N -0.67 2.47 0.35 0.44 2.02 -1.26 -2.75 118.70 119.30 3ii7 s GLU 324 Ca 0.10 1.22 -0.28 0.00 0.02 0.00 0.00 54.97 56.04 3ii7 s GLU 324 Cb -0.11 -1.92 -0.12 0.00 0.10 0.00 0.00 34.13 32.08 3ii7 s GLU 324 CO 0.01 -1.49 1.25 1.63 0.02 0.00 0.00 175.26 176.69 3ii7 n LYS 325 N -3.15 2.01 -3.93 1.61 5.02 -1.26 -4.77 118.16 113.68 3ii7 n LYS 325 Ca 0.09 0.71 -0.34 0.00 -2.02 0.00 0.00 58.31 56.75 3ii7 n LYS 325 Cb 0.53 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 3ii7 n LYS 325 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ii7 s ARG 326 N -1.90 3.38 -0.13 1.97 0.52 -1.26 -4.88 118.95 116.64 3ii7 s ARG 326 Ca 0.57 -0.33 -0.23 0.00 -0.52 0.00 0.00 55.73 55.21 3ii7 s ARG 326 Cb -0.57 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 3ii7 s ARG 326 CO 0.61 0.68 0.71 0.50 0.02 0.00 0.00 175.30 177.82 3ii7 s ARG 327 N -1.84 4.33 -1.36 3.54 3.52 0.73 -4.51 118.95 123.36 3ii7 s ARG 327 Ca 0.26 0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 56.63 3ii7 s ARG 327 Cb -0.12 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3ii7 s ARG 327 CO 0.17 -0.13 0.89 -0.25 -0.81 0.00 0.00 175.30 175.17 3ii7 n ASP 328 N 4.54 -3.01 -2.31 -2.12 8.00 -1.26 -1.31 116.55 119.08 3ii7 n ASP 328 Ca 0.00 -0.74 -0.03 0.00 0.71 0.00 0.00 54.79 54.73 3ii7 n ASP 328 Cb 0.50 -4.29 0.01 0.00 -0.02 0.00 0.00 41.12 37.32 3ii7 n ASP 328 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ii7 n ALA 329 N -4.47 0.05 -2.21 2.24 0.00 -1.26 -0.62 120.51 114.23 3ii7 n ALA 329 Ca -0.16 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 3ii7 n ALA 329 Cb 0.62 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 3ii7 n ALA 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ii7 s ALA 330 N -2.68 0.47 0.09 0.00 0.00 -0.25 -4.75 121.76 114.64 3ii7 s ALA 330 Ca 0.08 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3ii7 s ALA 330 Cb -0.00 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3ii7 s ALA 330 CO 0.05 -0.34 -0.06 0.00 0.00 0.00 0.00 175.76 175.41 3ii7 s VAL 332 N -3.68 0.01 -0.13 0.00 1.01 -0.36 -4.69 120.40 112.57 3ii7 s VAL 332 Ca 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 3ii7 s VAL 332 Cb 0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3ii7 s VAL 332 CO -0.06 -0.05 -0.03 0.12 0.00 0.00 0.00 175.10 175.07 3ii7 s PHE 333 N -0.50 3.04 -0.16 5.22 5.36 -1.26 -0.27 117.98 129.41 3ii7 s PHE 333 Ca -0.06 -0.14 -0.08 0.00 -0.96 0.00 0.00 56.93 55.69 3ii7 s PHE 333 Cb -0.03 -1.88 0.06 0.00 -0.34 0.00 0.00 43.02 40.83 3ii7 s PHE 333 CO 0.04 0.13 0.37 -0.46 -1.46 0.00 0.00 175.22 173.85 3ii7 s TRP 334 N -0.10 -0.54 -1.08 10.12 -0.11 -0.03 -4.70 118.94 122.49 3ii7 s TRP 334 Ca 0.02 1.17 -0.21 0.00 1.22 0.00 0.00 56.10 58.30 3ii7 s TRP 334 Cb -0.13 0.22 0.02 0.00 -1.50 0.00 0.00 33.47 32.08 3ii7 s TRP 334 CO 0.02 -0.32 0.69 -3.47 -4.62 0.00 0.00 176.95 169.26 3ii7 n ASP 335 N 4.27 -4.78 0.00 5.86 2.03 -1.26 -1.62 116.55 121.04 3ii7 n ASP 335 Ca -0.24 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 53.98 3ii7 n ASP 335 Cb 0.55 -2.24 0.00 0.00 -0.72 0.00 0.00 41.12 38.70 3ii7 n ASP 335 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3ii7 n ASN 336 N -2.37 -2.70 -4.09 1.67 3.02 -1.26 -5.00 115.26 104.52 3ii7 n ASN 336 Ca -0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.13 3ii7 n ASN 336 Cb 0.60 -1.37 -0.17 0.00 -0.61 0.00 0.00 39.78 38.23 3ii7 n ASN 336 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ii7 s VAL 337 N -2.07 1.45 -0.23 2.41 1.01 -0.64 -0.49 120.40 121.85 3ii7 s VAL 337 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 3ii7 s VAL 337 Cb 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3ii7 s VAL 337 CO 0.00 0.43 0.48 -0.69 0.00 0.00 0.00 175.10 175.32 3ii7 s VAL 338 N 0.55 5.11 -0.21 2.92 1.01 0.20 -0.86 120.40 129.12 3ii7 s VAL 338 Ca -0.16 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 3ii7 s VAL 338 Cb -0.17 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3ii7 s VAL 338 CO 0.06 0.15 0.12 -0.31 0.00 0.00 0.00 175.10 175.12 3ii7 s TYR 339 N 1.87 3.32 -0.21 5.22 2.02 0.62 -0.33 117.35 129.86 3ii7 s TYR 339 Ca 0.21 0.18 -0.03 0.00 -0.37 0.00 0.00 57.07 57.06 3ii7 s TYR 339 Cb -0.15 -2.18 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 3ii7 s TYR 339 CO 0.09 0.14 -0.06 0.42 -1.57 0.00 0.00 175.55 174.57 3ii7 s ILE 340 N 0.66 3.25 0.05 2.71 1.01 0.81 -1.23 121.20 128.46 3ii7 s ILE 340 Ca 0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 3ii7 s ILE 340 Cb -0.12 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3ii7 s ILE 340 CO 0.01 0.44 0.07 -1.48 0.00 0.00 0.00 174.94 173.98 3ii7 s LEU 341 N 1.41 1.96 0.00 2.97 0.05 -0.38 -1.26 118.68 123.43 3ii7 s LEU 341 Ca 0.05 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 53.56 3ii7 s LEU 341 Cb -0.14 0.52 0.00 0.00 -2.05 0.00 0.00 46.19 44.52 3ii7 s LEU 341 CO -0.04 -0.55 0.00 0.61 -0.55 0.00 0.00 176.35 175.82 3ii7 n GLY 342 N 0.55 -1.53 2.79 -3.48 0.00 -1.26 -1.09 105.19 101.17 3ii7 n GLY 342 Ca -0.18 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.59 3ii7 n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii7 n GLY 343 N 0.00 -2.18 3.24 -0.02 0.00 -0.26 -4.58 105.19 101.39 3ii7 n GLY 343 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 3ii7 n GLY 343 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ii7 s SER 344 N -2.92 0.12 0.00 1.61 0.01 -0.43 -1.28 113.70 110.81 3ii7 s SER 344 Ca 0.00 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.48 3ii7 s SER 344 Cb 0.00 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 3ii7 s SER 344 CO 0.00 -0.78 0.00 0.00 0.41 0.00 0.00 173.24 172.87 3ii7 n GLN 345 N -0.11 0.00 0.04 12.44 6.02 -1.26 -0.20 117.38 134.31 3ii7 n GLN 345 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.82 3ii7 n GLN 345 Cb 0.63 0.00 0.14 0.00 1.02 0.00 0.00 30.24 32.03 3ii7 n GLN 345 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3ii7 h LEU 346 N 0.00 0.45 -8.93 1.08 -0.00 -2.00 -3.46 115.31 102.46 3ii7 h LEU 346 Ca 0.00 -0.20 -0.37 0.00 -0.00 0.00 0.00 57.88 57.31 3ii7 h LEU 346 Cb 0.00 -0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 40.39 3ii7 h LEU 346 CO 0.00 0.83 -0.62 -0.36 -0.00 0.00 0.00 178.44 178.29 3ii7 s PHE 347 N -4.15 1.59 0.31 1.13 0.08 -1.26 -5.12 117.98 110.55 3ii7 s PHE 347 Ca -0.06 -1.11 -0.30 0.00 0.12 0.00 0.00 56.93 55.59 3ii7 s PHE 347 Cb 0.13 -0.95 -0.11 0.00 -0.57 0.00 0.00 43.02 41.52 3ii7 s PHE 347 CO 0.80 -0.24 1.56 -2.14 -0.10 0.00 0.00 175.22 175.10 3ii7 s PRO 348 N -3.98 4.13 -0.04 0.24 0.02 -1.26 -4.48 135.00 129.63 3ii7 s PRO 348 Ca 0.36 2.55 -0.21 0.00 0.02 0.00 0.00 61.00 63.72 3ii7 s PRO 348 Cb 0.08 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 3ii7 s PRO 348 CO 0.13 -0.59 0.61 0.42 -0.33 0.00 0.00 177.00 177.24 3ii7 s ILE 349 N -0.24 4.99 -1.25 2.83 1.01 -0.40 -4.92 121.20 123.23 3ii7 s ILE 349 Ca 0.61 1.27 0.17 0.00 0.00 0.00 0.00 60.65 62.70 3ii7 s ILE 349 Cb -0.47 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 3ii7 s ILE 349 CO 0.51 0.35 0.81 0.29 0.00 0.00 0.00 174.94 176.90 3ii7 n LYS 350 N 3.19 1.59 -3.75 2.79 5.02 -1.26 -4.58 118.16 121.16 3ii7 n LYS 350 Ca -0.05 -0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 55.41 3ii7 n LYS 350 Cb 0.51 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.17 3ii7 n LYS 350 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3ii7 s ARG 351 N -2.24 3.58 -0.22 1.97 3.52 -1.26 -0.09 118.95 124.22 3ii7 s ARG 351 Ca 0.11 -0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 55.53 3ii7 s ARG 351 Cb 0.13 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 3ii7 s ARG 351 CO 0.54 0.60 0.03 1.41 -0.81 0.00 0.00 175.30 177.06 3ii7 s MET 352 N -2.08 3.66 -0.13 5.12 -2.45 0.19 -4.58 119.30 119.02 3ii7 s MET 352 Ca 0.32 -0.49 -0.10 0.00 -1.25 0.00 0.00 55.69 54.17 3ii7 s MET 352 Cb -0.13 -3.19 -0.05 0.00 1.25 0.00 0.00 34.83 32.71 3ii7 s MET 352 CO 0.20 -0.06 0.21 -0.51 1.05 0.00 0.00 175.02 175.92 3ii7 s ASP 353 N 1.22 6.43 -0.07 1.11 1.01 -0.39 -1.07 116.67 124.91 3ii7 s ASP 353 Ca 0.04 0.51 0.03 0.00 0.71 0.00 0.00 52.55 53.83 3ii7 s ASP 353 Cb -0.14 -2.13 0.01 0.00 1.01 0.00 0.00 42.92 41.67 3ii7 s ASP 353 CO 0.02 0.28 -0.15 0.00 0.21 0.00 0.00 175.17 175.53 3ii7 s TYR 355 N 0.54 3.08 -0.43 0.00 5.04 0.55 -0.59 117.35 125.53 3ii7 s TYR 355 Ca -0.15 -1.58 -0.28 0.00 -2.44 0.00 0.00 57.07 52.62 3ii7 s TYR 355 Cb -0.16 -2.06 0.03 0.00 0.35 0.00 0.00 41.96 40.12 3ii7 s TYR 355 CO 0.05 -0.74 1.08 1.21 -1.34 0.00 0.00 175.55 175.81 3ii7 s ASN 356 N 1.32 6.68 0.38 4.32 3.84 0.20 -0.63 114.94 131.04 3ii7 s ASN 356 Ca -0.00 0.54 0.17 0.00 0.21 0.00 0.00 52.86 53.78 3ii7 s ASN 356 Cb -0.17 -2.53 0.75 0.00 -0.55 0.00 0.00 41.25 38.75 3ii7 s ASN 356 CO -0.04 -1.12 1.79 -0.37 -2.79 0.00 0.00 177.10 174.57 3ii7 h VAL 357 N 6.08 1.04 0.20 -5.21 -1.51 -1.08 0.36 116.25 116.12 3ii7 h VAL 357 Ca -0.23 -1.40 -0.27 0.00 -1.23 0.00 0.00 66.70 63.58 3ii7 h VAL 357 Cb 1.06 1.81 0.03 0.00 -2.13 0.00 0.00 31.29 32.06 3ii7 h VAL 357 CO 1.08 0.37 -1.18 0.58 -1.23 0.00 0.00 177.57 177.19 3ii7 h VAL 358 N 0.00 1.36 0.00 7.19 2.07 -1.88 -3.31 116.25 121.68 3ii7 h VAL 358 Ca -0.00 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.91 3ii7 h VAL 358 Cb 0.78 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 3ii7 h VAL 358 CO 0.05 0.76 -0.26 0.29 0.02 0.00 0.00 177.57 178.44 3ii7 n LYS 359 N -3.91 0.07 -3.70 1.57 5.02 -1.21 -4.96 118.16 111.04 3ii7 n LYS 359 Ca -0.16 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 55.94 3ii7 n LYS 359 Cb 0.97 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 34.44 3ii7 n LYS 359 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3ii7 n ASP 360 N -1.68 -1.88 -3.96 4.39 2.03 0.10 -4.99 116.55 110.55 3ii7 n ASP 360 Ca 0.06 -0.86 -0.09 0.00 0.52 0.00 0.00 54.79 54.42 3ii7 n ASP 360 Cb 0.36 -3.92 -0.10 0.00 -0.72 0.00 0.00 41.12 36.75 3ii7 n ASP 360 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3ii7 s SER 361 N -4.20 0.24 0.05 1.67 1.04 -1.09 -5.00 113.70 106.40 3ii7 s SER 361 Ca 0.09 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 55.98 3ii7 s SER 361 Cb -0.02 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 3ii7 s SER 361 CO 0.82 -0.49 -0.11 0.26 0.98 0.00 0.00 173.24 174.71 3ii7 s TRP 362 N -2.61 2.74 0.21 5.02 0.52 -1.26 -0.63 118.94 122.94 3ii7 s TRP 362 Ca -0.05 -0.14 -0.08 0.00 0.02 0.00 0.00 56.10 55.85 3ii7 s TRP 362 Cb -0.01 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.78 3ii7 s TRP 362 CO -0.05 0.36 0.32 1.52 0.02 0.00 0.00 176.95 179.11 3ii7 s TYR 363 N -1.05 0.65 -0.00 -1.98 -0.85 0.24 -4.99 117.35 109.37 3ii7 s TYR 363 Ca 0.18 -0.96 0.03 0.00 -0.52 0.00 0.00 57.07 55.79 3ii7 s TYR 363 Cb -0.11 -0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.10 3ii7 s TYR 363 CO 0.09 -0.81 -0.09 -1.12 -1.52 0.00 0.00 175.55 172.09 3ii7 s SER 364 N -3.06 1.09 0.42 -0.18 0.01 -1.26 0.03 113.70 110.75 3ii7 s SER 364 Ca 0.27 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.38 3ii7 s SER 364 Cb 0.03 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 3ii7 s SER 364 CO 0.08 0.10 0.06 -0.54 0.41 0.00 0.00 173.24 173.35 3ii7 s LYS 365 N -0.30 1.96 0.17 12.44 -0.14 -0.23 -4.98 119.74 128.66 3ii7 s LYS 365 Ca 0.03 -2.18 -0.26 0.00 -1.36 0.00 0.00 55.97 52.19 3ii7 s LYS 365 Cb -0.04 -1.07 -0.08 0.00 -1.68 0.00 0.00 37.83 34.96 3ii7 s LYS 365 CO -0.00 -0.33 0.82 -0.51 -0.76 0.00 0.00 175.35 174.56 3ii7 s LEU 366 N -3.68 4.59 0.00 3.17 1.43 -1.26 -0.64 118.68 122.30 3ii7 s LEU 366 Ca 0.22 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 3ii7 s LEU 366 Cb 0.04 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.90 3ii7 s LEU 366 CO 0.12 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.48 3ii7 n GLY 367 N 1.67 0.70 3.76 -3.19 0.00 0.87 -4.52 105.19 104.49 3ii7 n GLY 367 Ca -0.04 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 3ii7 n GLY 367 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ii7 s PRO 368 N 1.49 3.68 0.45 1.61 0.04 -1.26 -4.84 135.00 136.17 3ii7 s PRO 368 Ca 0.00 2.27 0.23 0.00 0.04 0.00 0.00 61.00 63.54 3ii7 s PRO 368 Cb 0.00 -2.60 1.22 0.00 0.04 0.00 0.00 34.50 33.16 3ii7 s PRO 368 CO 0.00 -0.77 1.82 -1.35 0.04 0.00 0.00 177.00 176.74 3ii7 h PRO 369 N 2.26 0.27 -4.49 0.56 0.11 -1.94 -3.31 132.00 125.47 3ii7 h PRO 369 Ca -0.50 -0.02 -0.70 0.00 0.11 0.00 0.00 66.00 64.89 3ii7 h PRO 369 Cb 1.26 -0.06 -0.34 0.00 0.11 0.00 0.00 31.00 31.98 3ii7 h PRO 369 CO 0.61 0.18 -0.54 0.99 -0.21 0.00 0.00 178.00 179.02 3ii7 s THR 370 N -5.31 3.37 0.31 -1.15 2.01 -1.26 -5.08 115.64 108.53 3ii7 s THR 370 Ca -0.07 -1.96 -0.29 0.00 0.31 0.00 0.00 61.69 59.67 3ii7 s THR 370 Cb 0.23 -3.27 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 3ii7 s THR 370 CO 0.79 -0.65 1.41 -2.84 -0.69 0.00 0.00 174.62 172.64 3ii7 s PRO 371 N 1.18 4.25 0.01 4.92 0.02 -1.25 -4.99 135.00 139.15 3ii7 s PRO 371 Ca 0.07 2.36 -0.28 0.00 0.02 0.00 0.00 61.00 63.17 3ii7 s PRO 371 Cb -0.23 -3.05 0.09 0.00 0.02 0.00 0.00 34.50 31.33 3ii7 s PRO 371 CO -0.03 -0.38 0.78 -0.98 -0.33 0.00 0.00 177.00 176.06 3ii7 s ARG 372 N -1.33 0.96 0.16 5.54 1.70 -1.26 -4.75 118.95 119.97 3ii7 s ARG 372 Ca 0.54 -0.18 0.04 0.00 -0.47 0.00 0.00 55.73 55.65 3ii7 s ARG 372 Cb -0.43 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 3ii7 s ARG 372 CO 0.52 -0.39 0.22 -0.51 -1.08 0.00 0.00 175.30 174.06 3ii7 s ASP 373 N -2.13 5.95 -1.69 -2.89 1.11 0.06 -1.10 116.67 115.99 3ii7 s ASP 373 Ca -0.00 0.03 0.00 0.00 0.18 0.00 0.00 52.55 52.76 3ii7 s ASP 373 Cb -0.01 -1.69 0.00 0.00 1.07 0.00 0.00 42.92 42.29 3ii7 s ASP 373 CO -0.05 0.06 0.00 -1.20 1.18 0.00 0.00 175.17 175.15 3ii7 n SER 374 N -0.47 -5.25 -4.84 0.27 7.64 0.21 -0.16 113.62 111.02 3ii7 n SER 374 Ca -0.08 0.15 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 3ii7 n SER 374 Cb 0.54 -4.33 0.07 0.00 -1.01 0.00 0.00 64.21 59.49 3ii7 n SER 374 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3ii7 s LEU 375 N -4.83 2.76 0.24 -3.43 2.34 -1.26 -1.26 118.68 113.23 3ii7 s LEU 375 Ca 0.00 1.23 0.11 0.00 0.06 0.00 0.00 54.13 55.53 3ii7 s LEU 375 Cb 0.00 -3.94 -0.05 0.00 -0.56 0.00 0.00 46.19 41.65 3ii7 s LEU 375 CO 0.00 -1.65 -0.15 0.00 -1.06 0.00 0.00 176.35 173.49 3ii7 s ALA 376 N -3.25 2.82 0.00 1.48 0.00 -0.51 -4.60 121.76 117.70 3ii7 s ALA 376 Ca 0.59 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 3ii7 s ALA 376 Cb -0.13 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3ii7 s ALA 376 CO 0.53 0.35 0.18 0.00 0.00 0.00 0.00 175.76 176.82 3ii7 s ALA 377 N -2.13 -0.43 0.31 0.00 0.00 -1.26 -0.95 121.76 117.30 3ii7 s ALA 377 Ca 0.27 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 3ii7 s ALA 377 Cb -0.07 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3ii7 s ALA 377 CO 0.15 -0.23 0.64 0.00 0.00 0.00 0.00 175.76 176.32 3ii7 s ALA 379 N -3.41 1.59 -0.10 0.00 0.00 -1.26 -0.59 121.76 117.98 3ii7 s ALA 379 Ca 0.18 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 3ii7 s ALA 379 Cb -0.04 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.77 3ii7 s ALA 379 CO 0.10 0.37 0.22 0.00 0.00 0.00 0.00 175.76 176.46 3ii7 s ALA 380 N -0.56 -0.43 -1.44 0.00 0.00 -0.46 -4.74 121.76 114.12 3ii7 s ALA 380 Ca 0.07 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 3ii7 s ALA 380 Cb -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.27 3ii7 s ALA 380 CO 0.00 -0.45 0.56 0.39 0.00 0.00 0.00 175.76 176.26 3ii7 n GLU 381 N 4.91 -3.74 -0.69 0.00 1.02 -1.26 -1.83 120.64 119.05 3ii7 n GLU 381 Ca -0.13 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 3ii7 n GLU 381 Cb 0.51 -4.79 0.00 0.00 -0.02 0.00 0.00 31.44 27.13 3ii7 n GLU 381 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ii7 n GLY 382 N -1.82 0.96 3.59 0.62 0.00 -1.26 -5.03 105.19 102.25 3ii7 n GLY 382 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3ii7 n GLY 382 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ii7 s LYS 383 N -0.26 2.73 -0.31 1.61 3.01 -0.76 -1.23 119.74 124.52 3ii7 s LYS 383 Ca 0.00 -0.57 -0.12 0.00 -1.01 0.00 0.00 55.97 54.27 3ii7 s LYS 383 Cb 0.00 -2.58 -0.03 0.00 -1.01 0.00 0.00 37.83 34.21 3ii7 s LYS 383 CO 0.00 0.66 0.21 0.42 0.51 0.00 0.00 175.35 177.15 3ii7 s ILE 384 N -0.83 5.28 -0.09 2.17 -1.09 0.44 -1.36 121.20 125.71 3ii7 s ILE 384 Ca 0.13 -0.04 -0.08 0.00 -2.23 0.00 0.00 60.65 58.43 3ii7 s ILE 384 Cb -0.11 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3ii7 s ILE 384 CO 0.02 0.12 0.19 -0.31 -1.23 0.00 0.00 174.94 173.72 3ii7 s TYR 385 N 1.74 3.61 -0.04 3.97 2.02 0.24 -0.35 117.35 128.54 3ii7 s TYR 385 Ca 0.06 0.59 0.03 0.00 -0.37 0.00 0.00 57.07 57.38 3ii7 s TYR 385 Cb -0.17 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.41 3ii7 s TYR 385 CO 0.11 0.72 -0.13 0.95 -1.57 0.00 0.00 175.55 175.62 3ii7 s THR 386 N -1.07 1.11 0.02 -0.71 -4.23 -0.01 -1.87 115.64 108.89 3ii7 s THR 386 Ca 0.17 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.18 3ii7 s THR 386 Cb -0.13 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 3ii7 s THR 386 CO 0.07 0.34 -0.06 -0.94 -0.54 0.00 0.00 174.62 173.48 3ii7 s SER 387 N 0.26 0.72 0.77 3.99 1.04 -0.13 -1.47 113.70 118.90 3ii7 s SER 387 Ca -0.06 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3ii7 s SER 387 Cb -0.12 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3ii7 s SER 387 CO 0.02 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.80 3ii7 n GLY 388 N 2.33 0.69 0.68 7.32 0.00 -0.15 -1.42 105.19 114.63 3ii7 n GLY 388 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3ii7 n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii7 n GLY 389 N 0.00 -3.04 3.07 -0.02 0.00 -0.10 -4.51 105.19 100.59 3ii7 n GLY 389 Ca 0.00 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 3ii7 n GLY 389 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ii7 s SER 390 N -1.91 1.15 0.49 1.61 1.04 0.78 -0.79 113.70 116.06 3ii7 s SER 390 Ca 0.00 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.11 3ii7 s SER 390 Cb 0.00 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.12 3ii7 s SER 390 CO 0.00 -0.02 0.46 -0.62 0.98 0.00 0.00 173.24 174.04 3ii7 n GLU 391 N 2.10 0.74 -2.04 4.02 1.02 -1.21 -0.76 120.64 124.52 3ii7 n GLU 391 Ca -0.18 -2.92 -0.41 0.00 -0.02 0.00 0.00 57.16 53.63 3ii7 n GLU 391 Cb 0.56 0.16 -0.02 0.00 -0.02 0.00 0.00 31.44 32.11 3ii7 n GLU 391 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ii7 s VAL 392 N -2.31 2.75 0.00 2.62 -7.23 -1.26 -3.24 120.40 111.72 3ii7 s VAL 392 Ca 0.35 0.62 0.00 0.00 -1.81 0.00 0.00 61.98 61.14 3ii7 s VAL 392 Cb -0.03 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.52 3ii7 s VAL 392 CO 0.22 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 3ii7 n GLY 393 N 2.31 0.51 3.44 2.32 0.00 -1.26 -5.01 105.19 107.51 3ii7 n GLY 393 Ca 0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 3ii7 n GLY 393 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ii7 s ASN 394 N -2.31 -0.75 0.27 1.61 3.84 -1.20 -5.04 114.94 111.37 3ii7 s ASN 394 Ca 0.00 1.26 -0.01 0.00 0.21 0.00 0.00 52.86 54.31 3ii7 s ASN 394 Cb 0.00 1.87 0.38 0.00 -0.55 0.00 0.00 41.25 42.95 3ii7 s ASN 394 CO 0.00 -0.23 1.80 0.77 -2.79 0.00 0.00 177.10 176.65 3ii7 h SER 395 N 8.08 0.76 -4.24 -4.21 4.64 -1.91 -3.19 113.55 113.48 3ii7 h SER 395 Ca -0.17 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 60.94 3ii7 h SER 395 Cb 1.11 -0.20 -0.21 0.00 -0.31 0.00 0.00 62.40 62.79 3ii7 h SER 395 CO 0.12 0.78 0.09 0.00 -0.87 0.00 0.00 176.83 176.96 3ii7 s ALA 396 N -5.13 -1.67 0.18 5.18 0.00 -1.26 -4.55 121.76 114.51 3ii7 s ALA 396 Ca -0.10 1.73 0.07 0.00 0.00 0.00 0.00 51.96 53.67 3ii7 s ALA 396 Cb 0.15 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3ii7 s ALA 396 CO 0.80 -0.33 0.00 -0.51 0.00 0.00 0.00 175.76 175.73 3ii7 s LEU 397 N -0.03 3.31 0.00 0.00 1.43 0.03 -4.66 118.68 118.76 3ii7 s LEU 397 Ca -0.03 -0.41 0.23 0.00 -1.03 0.00 0.00 54.13 52.89 3ii7 s LEU 397 Cb -0.04 -1.95 0.50 0.00 0.03 0.00 0.00 46.19 44.73 3ii7 s LEU 397 CO 0.03 0.08 1.45 0.00 0.23 0.00 0.00 176.35 178.14 3ii7 n TYR 398 N -0.17 0.61 -1.73 0.29 4.11 -1.26 -1.94 117.16 117.06 3ii7 n TYR 398 Ca -0.09 -0.30 -0.42 0.00 -0.00 0.00 0.00 57.90 57.08 3ii7 n TYR 398 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.89 3ii7 n TYR 398 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 3ii7 n LEU 399 N 1.45 4.06 -3.68 -3.48 7.94 -1.26 -1.07 117.00 120.96 3ii7 n LEU 399 Ca 0.20 1.21 -0.24 0.00 -1.11 0.00 0.00 56.01 56.07 3ii7 n LEU 399 Cb 0.59 -1.54 -0.17 0.00 0.53 0.00 0.00 43.42 42.82 3ii7 n LEU 399 CO 0.16 -0.19 -0.35 0.12 -1.11 0.00 0.00 177.39 176.02 3ii7 s PHE 400 N -0.95 0.35 -0.02 1.96 5.36 -1.26 -0.98 117.98 122.44 3ii7 s PHE 400 Ca 0.56 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 56.38 3ii7 s PHE 400 Cb -0.53 -0.69 -0.00 0.00 -0.34 0.00 0.00 43.02 41.45 3ii7 s PHE 400 CO 0.61 -0.39 -0.11 -1.21 -1.46 0.00 0.00 175.22 172.66 3ii7 s GLU 401 N 2.08 0.99 0.09 10.12 2.02 -0.54 -0.96 118.70 132.51 3ii7 s GLU 401 Ca 0.03 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 54.70 3ii7 s GLU 401 Cb -0.14 -0.93 -0.03 0.00 0.10 0.00 0.00 34.13 33.12 3ii7 s GLU 401 CO -0.06 0.20 -0.16 0.00 0.02 0.00 0.00 175.26 175.25 3ii7 s TYR 403 N -1.45 2.99 -0.44 0.00 5.04 0.52 -0.40 117.35 123.62 3ii7 s TYR 403 Ca 0.03 -0.66 -0.24 0.00 -2.44 0.00 0.00 57.07 53.77 3ii7 s TYR 403 Cb -0.09 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.16 3ii7 s TYR 403 CO 0.03 -0.36 0.82 0.34 -1.34 0.00 0.00 175.55 175.04 3ii7 s ASP 404 N 1.17 6.45 0.55 4.32 -1.08 0.29 -0.42 116.67 127.95 3ii7 s ASP 404 Ca 0.02 0.01 0.35 0.00 -0.52 0.00 0.00 52.55 52.41 3ii7 s ASP 404 Cb -0.14 -2.40 1.49 0.00 -1.46 0.00 0.00 42.92 40.40 3ii7 s ASP 404 CO 0.00 -0.93 2.02 0.71 0.52 0.00 0.00 175.17 177.50 3ii7 h THR 405 N 5.98 0.00 0.01 1.71 1.35 -1.49 0.40 112.91 120.87 3ii7 h THR 405 Ca -0.25 -0.43 -0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3ii7 h THR 405 Cb 1.08 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3ii7 h THR 405 CO 0.97 0.00 -0.00 -0.09 -0.25 0.00 0.00 175.52 176.15 3ii7 h ARG 406 N 0.00 -0.01 0.00 4.72 2.43 -1.92 -3.36 114.38 116.25 3ii7 h ARG 406 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ii7 h ARG 406 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3ii7 h ARG 406 CO 0.00 0.78 -0.33 0.25 -1.51 0.00 0.00 179.97 179.16 3ii7 n THR 407 N -4.66 0.02 -3.65 0.20 -2.24 -1.19 -4.97 114.28 97.80 3ii7 n THR 407 Ca -0.08 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 3ii7 n THR 407 Cb 0.38 -0.04 0.06 0.00 -2.10 0.00 0.00 70.33 68.63 3ii7 n THR 407 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ii7 n GLU 408 N -1.54 -6.22 -4.14 -0.78 1.02 0.14 -5.00 120.64 104.12 3ii7 n GLU 408 Ca 0.06 0.73 -0.16 0.00 -0.02 0.00 0.00 57.16 57.76 3ii7 n GLU 408 Cb 0.34 -5.59 -0.12 0.00 -0.02 0.00 0.00 31.44 26.05 3ii7 n GLU 408 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ii7 s SER 409 N -3.90 1.40 -0.02 1.62 1.04 -1.17 -4.95 113.70 107.71 3ii7 s SER 409 Ca 0.28 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 3ii7 s SER 409 Cb -0.13 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 3ii7 s SER 409 CO 0.77 -0.14 0.17 0.26 0.98 0.00 0.00 173.24 175.29 3ii7 s TRP 410 N -1.43 3.54 -0.04 5.02 0.52 -1.26 -0.55 118.94 124.74 3ii7 s TRP 410 Ca -0.04 0.36 -0.02 0.00 0.02 0.00 0.00 56.10 56.42 3ii7 s TRP 410 Cb -0.09 -1.83 0.02 0.00 -1.15 0.00 0.00 33.47 30.42 3ii7 s TRP 410 CO 0.01 0.65 0.08 -1.01 0.02 0.00 0.00 176.95 176.70 3ii7 s HIS 411 N -1.30 -0.07 0.06 -1.98 3.76 0.47 -4.99 115.29 111.25 3ii7 s HIS 411 Ca 0.26 0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 55.14 3ii7 s HIS 411 Cb -0.13 -0.10 -0.05 0.00 1.11 0.00 0.00 32.58 33.42 3ii7 s HIS 411 CO 0.18 -0.10 0.93 0.99 -0.85 0.00 0.00 174.74 175.89 3ii7 s THR 412 N 0.75 4.68 0.41 1.30 2.01 -1.26 -0.36 115.64 123.16 3ii7 s THR 412 Ca -0.06 1.97 0.07 0.00 0.31 0.00 0.00 61.69 63.99 3ii7 s THR 412 Cb -0.08 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 68.08 3ii7 s THR 412 CO -0.03 0.27 0.08 -0.54 -0.69 0.00 0.00 174.62 173.71 3ii7 s LYS 413 N 0.35 2.08 0.27 4.92 -0.14 -0.13 -4.95 119.74 122.14 3ii7 s LYS 413 Ca 0.47 -1.97 -0.30 0.00 -1.36 0.00 0.00 55.97 52.81 3ii7 s LYS 413 Cb -0.22 -1.81 -0.13 0.00 -1.68 0.00 0.00 37.83 33.99 3ii7 s LYS 413 CO 0.28 -0.06 1.27 -2.30 -0.76 0.00 0.00 175.35 173.78 3ii7 n PRO 414 N -1.08 1.83 -2.18 -1.68 -0.02 -1.26 -4.41 135.00 126.20 3ii7 n PRO 414 Ca -0.03 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 3ii7 n PRO 414 Cb 0.66 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3ii7 n PRO 414 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3ii7 s SER 415 N -0.06 5.75 0.82 2.55 0.01 -1.26 -4.63 113.70 116.87 3ii7 s SER 415 Ca 0.63 2.01 -0.13 0.00 1.31 0.00 0.00 55.95 59.77 3ii7 s SER 415 Cb -0.66 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.08 3ii7 s SER 415 CO 0.55 -1.19 1.07 0.23 0.41 0.00 0.00 173.24 174.31 3ii7 n MET 416 N -1.60 0.11 0.08 12.44 2.81 -0.23 -4.86 117.12 125.86 3ii7 n MET 416 Ca 0.10 0.11 -0.03 0.00 -1.81 0.00 0.00 57.70 56.07 3ii7 n MET 416 Cb 0.52 -2.33 0.19 0.00 -0.71 0.00 0.00 33.22 30.89 3ii7 n MET 416 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3ii7 h LEU 417 N -0.97 0.31 -7.95 4.03 3.38 -1.94 -3.43 115.31 108.73 3ii7 h LEU 417 Ca -0.46 -0.14 -0.51 0.00 0.09 0.00 0.00 57.88 56.87 3ii7 h LEU 417 Cb 1.30 -0.09 -0.34 0.00 0.09 0.00 0.00 40.66 41.63 3ii7 h LEU 417 CO 0.44 0.71 -0.81 -0.89 0.09 0.00 0.00 178.44 177.98 3ii7 s THR 418 N -4.10 1.09 0.51 0.22 2.01 -1.26 -5.12 115.64 108.98 3ii7 s THR 418 Ca -0.05 -0.44 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 3ii7 s THR 418 Cb 0.13 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 3ii7 s THR 418 CO 0.78 0.35 1.26 0.00 -0.69 0.00 0.00 174.62 176.32 3ii7 s GLN 419 N 0.73 3.42 -0.15 4.92 -2.07 -1.26 -4.79 119.66 120.46 3ii7 s GLN 419 Ca -0.13 2.01 -0.29 0.00 -1.82 0.00 0.00 55.36 55.13 3ii7 s GLN 419 Cb -0.16 -2.32 0.08 0.00 -1.09 0.00 0.00 33.01 29.53 3ii7 s GLN 419 CO 0.03 -0.90 0.78 -0.98 -1.32 0.00 0.00 175.29 172.90 3ii7 s ARG 420 N -2.82 0.87 0.16 9.60 1.70 -0.82 -4.70 118.95 122.93 3ii7 s ARG 420 Ca 0.68 0.46 0.05 0.00 -0.47 0.00 0.00 55.73 56.46 3ii7 s ARG 420 Cb -0.35 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 3ii7 s ARG 420 CO 0.41 -0.22 -0.11 0.00 -1.08 0.00 0.00 175.30 174.30 3ii7 n SER 422 N -0.24 -4.90 -4.91 0.00 7.64 -0.39 -0.10 113.62 110.72 3ii7 n SER 422 Ca -0.10 0.23 -0.27 0.00 1.01 0.00 0.00 58.87 59.75 3ii7 n SER 422 Cb 0.61 -3.90 0.03 0.00 -1.01 0.00 0.00 64.21 59.93 3ii7 n SER 422 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3ii7 s HIS 423 N -2.68 3.30 0.18 1.43 -0.00 -1.26 -1.53 115.29 114.73 3ii7 s HIS 423 Ca 0.00 0.71 -0.08 0.00 -0.00 0.00 0.00 55.06 55.70 3ii7 s HIS 423 Cb 0.00 -2.73 -0.06 0.00 -0.00 0.00 0.00 32.58 29.79 3ii7 s HIS 423 CO 0.00 -0.80 0.47 0.20 -0.00 0.00 0.00 174.74 174.61 3ii7 s GLY 424 N -4.29 2.27 -0.04 -1.38 0.00 -0.83 -4.69 107.32 98.37 3ii7 s GLY 424 Ca 0.54 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.85 3ii7 s GLY 424 CO 0.46 -0.27 0.08 -0.29 0.00 0.00 0.00 173.10 173.08 3ii7 s MET 425 N -2.67 0.02 0.00 2.90 1.75 -1.26 -2.15 119.30 117.89 3ii7 s MET 425 Ca 0.44 0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 55.13 3ii7 s MET 425 Cb -0.12 -0.22 -0.01 0.00 2.84 0.00 0.00 34.83 37.33 3ii7 s MET 425 CO 0.22 -0.17 0.02 0.54 -0.65 0.00 0.00 175.02 174.99 3ii7 s VAL 426 N 1.11 0.05 0.08 10.11 0.11 -0.06 -4.68 120.40 127.13 3ii7 s VAL 426 Ca -0.09 -0.44 -0.22 0.00 -2.93 0.00 0.00 61.98 58.30 3ii7 s VAL 426 Cb -0.12 -0.18 -0.07 0.00 -1.53 0.00 0.00 36.38 34.48 3ii7 s VAL 426 CO -0.04 -0.24 0.67 -0.70 -3.33 0.00 0.00 175.10 171.46 3ii7 s GLU 427 N -0.73 4.38 -0.18 1.54 -6.30 -1.26 -0.68 118.70 115.48 3ii7 s GLU 427 Ca -0.08 0.92 -0.04 0.00 -2.50 0.00 0.00 54.97 53.26 3ii7 s GLU 427 Cb -0.05 -3.29 0.09 0.00 0.00 0.00 0.00 34.13 30.88 3ii7 s GLU 427 CO -0.00 0.50 0.29 0.00 0.02 0.00 0.00 175.26 176.06 3ii7 s ALA 428 N -0.72 -0.63 -1.45 6.30 0.00 0.08 -4.79 121.76 120.55 3ii7 s ALA 428 Ca 0.33 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 3ii7 s ALA 428 Cb -0.20 -1.28 0.06 0.00 0.00 0.00 0.00 23.12 21.70 3ii7 s ALA 428 CO 0.21 -0.96 0.74 0.09 0.00 0.00 0.00 175.76 175.84 3ii7 n ASN 429 N 5.35 -4.81 0.00 0.00 3.02 -1.26 -1.70 115.26 115.85 3ii7 n ASN 429 Ca -0.06 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3ii7 n ASN 429 Cb 0.50 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.78 3ii7 n ASN 429 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ii7 n GLY 430 N -1.49 1.53 3.85 7.41 0.00 -1.26 -5.04 105.19 110.20 3ii7 n GLY 430 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3ii7 n GLY 430 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ii7 s LEU 431 N 0.00 4.00 -0.22 0.99 1.43 -0.69 -4.43 118.68 119.76 3ii7 s LEU 431 Ca 0.00 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3ii7 s LEU 431 Cb 0.00 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.66 3ii7 s LEU 431 CO 0.00 0.05 -0.12 -0.63 0.23 0.00 0.00 176.35 175.88 3ii7 s ILE 432 N -1.77 2.53 -0.13 -0.59 1.01 -0.42 -0.74 121.20 121.09 3ii7 s ILE 432 Ca 0.32 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 3ii7 s ILE 432 Cb -0.10 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3ii7 s ILE 432 CO 0.25 0.33 0.02 -0.31 0.00 0.00 0.00 174.94 175.24 3ii7 s TYR 433 N 1.30 3.18 0.05 3.97 2.02 0.15 -0.34 117.35 127.69 3ii7 s TYR 433 Ca 0.02 0.08 0.08 0.00 -0.37 0.00 0.00 57.07 56.87 3ii7 s TYR 433 Cb -0.15 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 3ii7 s TYR 433 CO -0.08 0.30 -0.22 0.14 -1.57 0.00 0.00 175.55 174.12 3ii7 s VAL 434 N -0.29 1.78 -0.02 0.71 -7.23 -0.03 -0.88 120.40 114.43 3ii7 s VAL 434 Ca 0.07 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 3ii7 s VAL 434 Cb -0.12 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.30 3ii7 s VAL 434 CO 0.02 0.21 0.36 0.00 -0.31 0.00 0.00 175.10 175.38 3ii7 n GLY 436 N 1.27 0.90 2.46 0.00 0.00 -0.49 -1.96 105.19 107.36 3ii7 n GLY 436 Ca -0.21 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3ii7 n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii7 n GLY 437 N 0.00 -2.14 3.26 -0.02 0.00 0.51 -4.55 105.19 102.25 3ii7 n GLY 437 Ca 0.00 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 3ii7 n GLY 437 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ii7 s SER 438 N -3.45 1.27 0.05 1.61 1.04 0.85 -0.35 113.70 114.72 3ii7 s SER 438 Ca 0.00 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.21 3ii7 s SER 438 Cb 0.00 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 3ii7 s SER 438 CO 0.00 -0.59 -0.04 -1.48 0.98 0.00 0.00 173.24 172.10 3ii7 s LEU 439 N -3.21 2.40 0.00 2.42 0.05 -0.66 -1.27 118.68 118.41 3ii7 s LEU 439 Ca 0.27 -0.82 0.00 0.00 0.05 0.00 0.00 54.13 53.63 3ii7 s LEU 439 Cb 0.06 0.07 0.00 0.00 -2.05 0.00 0.00 46.19 44.27 3ii7 s LEU 439 CO 0.06 -0.45 0.00 0.61 -0.55 0.00 0.00 176.35 176.02 3ii7 n GLY 440 N 0.61 -2.03 2.91 -3.48 0.00 -1.26 -1.23 105.19 100.72 3ii7 n GLY 440 Ca -0.17 -1.40 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 3ii7 n GLY 440 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ii7 n ASN 441 N -0.56 0.98 0.00 1.61 0.23 -1.26 -4.71 115.26 111.54 3ii7 n ASN 441 Ca 0.00 -1.84 0.10 0.00 -0.53 0.00 0.00 54.58 52.32 3ii7 n ASN 441 Cb 0.05 -0.50 0.55 0.00 -2.08 0.00 0.00 39.78 37.81 3ii7 n ASN 441 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ii7 n ASN 442 N -2.96 0.00 -0.13 0.53 3.02 -1.26 -1.04 115.26 113.42 3ii7 n ASN 442 Ca 0.12 -0.10 -0.26 0.00 -0.03 0.00 0.00 54.58 54.31 3ii7 n ASN 442 Cb 0.44 -0.25 -0.09 0.00 -0.61 0.00 0.00 39.78 39.28 3ii7 n ASN 442 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3ii7 n VAL 443 N -1.25 1.48 0.28 2.41 0.31 -1.26 -4.78 118.33 115.53 3ii7 n VAL 443 Ca 0.11 -0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.17 3ii7 n VAL 443 Cb 0.16 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 3ii7 n VAL 443 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3ii7 n SER 444 N -4.24 1.04 -2.04 4.52 3.41 -1.25 -5.02 113.62 110.04 3ii7 n SER 444 Ca -0.48 -1.02 -0.00 0.00 -0.26 0.00 0.00 58.87 57.11 3ii7 n SER 444 Cb 0.82 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 3ii7 n SER 444 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ii7 n GLY 445 N 0.69 -0.73 3.45 5.00 0.00 -0.21 -4.82 105.19 108.57 3ii7 n GLY 445 Ca 0.03 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 3ii7 n GLY 445 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ii7 s ARG 446 N -2.92 1.08 0.06 1.61 1.70 -0.36 -4.90 118.95 115.21 3ii7 s ARG 446 Ca 0.01 -0.06 -0.17 0.00 -0.47 0.00 0.00 55.73 55.04 3ii7 s ARG 446 Cb -0.00 0.50 -0.06 0.00 -0.57 0.00 0.00 34.95 34.81 3ii7 s ARG 446 CO 0.01 -0.38 0.51 0.08 -1.08 0.00 0.00 175.30 174.44 3ii7 s VAL 447 N -2.10 4.85 -0.01 4.99 1.01 -1.26 -1.65 120.40 126.23 3ii7 s VAL 447 Ca -0.07 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.92 3ii7 s VAL 447 Cb -0.01 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3ii7 s VAL 447 CO 0.01 0.52 0.19 -0.76 0.00 0.00 0.00 175.10 175.07 3ii7 s LEU 448 N -1.21 4.37 0.11 3.92 1.43 0.53 -4.79 118.68 123.04 3ii7 s LEU 448 Ca 0.28 0.37 0.23 0.00 -1.03 0.00 0.00 54.13 53.98 3ii7 s LEU 448 Cb -0.18 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 3ii7 s LEU 448 CO 0.17 0.26 0.93 0.59 0.23 0.00 0.00 176.35 178.53 3ii7 n ASN 449 N 0.94 0.60 -4.77 2.29 4.13 -1.26 -2.17 115.26 115.02 3ii7 n ASN 449 Ca -0.11 0.11 -0.35 0.00 1.68 0.00 0.00 54.58 55.91 3ii7 n ASN 449 Cb 0.53 0.86 0.01 0.00 -1.54 0.00 0.00 39.78 39.64 3ii7 n ASN 449 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3ii7 s SER 450 N -4.76 5.56 -0.02 6.41 1.04 -1.26 -0.45 113.70 120.22 3ii7 s SER 450 Ca -0.01 2.25 0.03 0.00 0.48 0.00 0.00 55.95 58.70 3ii7 s SER 450 Cb 0.12 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.65 3ii7 s SER 450 CO 0.82 -1.34 -0.09 0.00 0.98 0.00 0.00 173.24 173.61 3ii7 s GLU 452 N 0.00 0.68 -0.02 0.00 -1.05 -0.39 -1.14 118.70 116.78 3ii7 s GLU 452 Ca 0.00 -1.11 0.03 0.00 -0.15 0.00 0.00 54.97 53.74 3ii7 s GLU 452 Cb -0.06 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 3ii7 s GLU 452 CO 0.00 -0.16 -0.10 0.54 0.95 0.00 0.00 175.26 176.49 3ii7 s VAL 453 N -3.80 0.88 -0.15 1.83 0.11 0.09 -0.85 120.40 118.52 3ii7 s VAL 453 Ca 0.05 -0.43 -0.03 0.00 -2.93 0.00 0.00 61.98 58.65 3ii7 s VAL 453 Cb 0.06 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 3ii7 s VAL 453 CO -0.10 0.27 -0.04 -0.47 -3.33 0.00 0.00 175.10 171.42 3ii7 s TYR 454 N 0.09 3.01 -0.33 1.54 5.04 0.54 -0.46 117.35 126.78 3ii7 s TYR 454 Ca -0.02 -0.29 -0.08 0.00 -2.44 0.00 0.00 57.07 54.24 3ii7 s TYR 454 Cb -0.08 -1.93 0.02 0.00 0.35 0.00 0.00 41.96 40.32 3ii7 s TYR 454 CO 0.00 -0.02 0.14 0.34 -1.34 0.00 0.00 175.55 174.68 3ii7 s ASP 455 N 0.27 5.43 0.60 4.32 -1.08 -0.91 -1.30 116.67 124.00 3ii7 s ASP 455 Ca -0.04 -0.89 0.31 0.00 -0.52 0.00 0.00 52.55 51.41 3ii7 s ASP 455 Cb -0.14 -1.94 1.82 0.00 -1.46 0.00 0.00 42.92 41.20 3ii7 s ASP 455 CO 0.03 -0.29 2.20 -0.65 0.52 0.00 0.00 175.17 176.98 3ii7 h PRO 456 N 8.31 0.00 -0.35 4.34 0.11 -1.90 0.20 132.00 142.71 3ii7 h PRO 456 Ca -0.27 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 3ii7 h PRO 456 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ii7 h PRO 456 CO 0.63 0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.13 3ii7 h ALA 457 N 1.90 0.85 0.00 -0.75 0.00 -1.93 -3.27 119.26 116.06 3ii7 h ALA 457 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ii7 h ALA 457 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ii7 h ALA 457 CO -0.00 0.64 -1.17 0.25 0.00 0.00 0.00 179.25 178.96 3ii7 n THR 458 N -4.09 0.00 -4.06 0.00 -2.24 -0.70 -4.99 114.28 98.20 3ii7 n THR 458 Ca -0.01 -0.18 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 3ii7 n THR 458 Cb 0.46 0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 3ii7 n THR 458 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ii7 n GLU 459 N -1.66 -4.06 -5.01 -0.78 1.02 0.61 -4.98 120.64 105.79 3ii7 n GLU 459 Ca 0.01 0.46 -0.27 0.00 -0.02 0.00 0.00 57.16 57.34 3ii7 n GLU 459 Cb 0.35 -5.16 -0.16 0.00 -0.02 0.00 0.00 31.44 26.45 3ii7 n GLU 459 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ii7 s THR 460 N -3.40 1.64 -0.05 2.62 2.01 -1.23 -4.75 115.64 112.48 3ii7 s THR 460 Ca 0.59 -0.87 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 3ii7 s THR 460 Cb -0.31 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 3ii7 s THR 460 CO 0.89 0.46 0.51 0.26 -0.69 0.00 0.00 174.62 176.05 3ii7 s TRP 461 N -0.36 3.61 -0.09 4.92 0.52 -1.26 -2.15 118.94 124.14 3ii7 s TRP 461 Ca 0.05 1.02 0.03 0.00 0.02 0.00 0.00 56.10 57.22 3ii7 s TRP 461 Cb -0.09 -2.52 0.00 0.00 -1.15 0.00 0.00 33.47 29.71 3ii7 s TRP 461 CO 0.00 0.32 -0.21 0.99 0.02 0.00 0.00 176.95 178.08 3ii7 s THR 462 N 0.01 1.80 0.11 2.01 2.01 0.40 -4.94 115.64 117.03 3ii7 s THR 462 Ca 0.27 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 3ii7 s THR 462 Cb -0.17 -1.57 -0.08 0.00 0.01 0.00 0.00 72.50 70.69 3ii7 s THR 462 CO 0.13 0.50 1.40 -0.70 -0.69 0.00 0.00 174.62 175.26 3ii7 s GLU 463 N 0.47 4.32 0.53 4.92 2.56 -1.26 -0.73 118.70 129.50 3ii7 s GLU 463 Ca -0.17 2.08 0.06 0.00 0.00 0.00 0.00 54.97 56.94 3ii7 s GLU 463 Cb -0.17 -3.27 0.03 0.00 2.00 0.00 0.00 34.13 32.72 3ii7 s GLU 463 CO 0.07 -0.45 0.43 -0.51 -0.56 0.00 0.00 175.26 174.24 3ii7 s LEU 464 N 1.18 2.85 0.22 2.70 1.43 -0.29 -4.95 118.68 121.82 3ii7 s LEU 464 Ca 0.65 -1.13 -0.32 0.00 -1.03 0.00 0.00 54.13 52.29 3ii7 s LEU 464 Cb -0.37 -1.36 -0.13 0.00 0.03 0.00 0.00 46.19 44.36 3ii7 s LEU 464 CO 0.30 -1.05 1.48 0.00 0.23 0.00 0.00 176.35 177.31 3ii7 s PRO 466 N 0.01 3.24 0.81 0.00 0.04 -1.26 -4.41 135.00 133.43 3ii7 s PRO 466 Ca 0.71 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 3ii7 s PRO 466 Cb -0.65 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 31.96 3ii7 s PRO 466 CO 0.46 -0.88 1.20 -1.64 0.04 0.00 0.00 177.00 176.18 3ii7 s MET 467 N -4.06 1.64 0.18 4.56 -1.94 0.41 -4.69 119.30 115.40 3ii7 s MET 467 Ca 0.64 1.74 -0.09 0.00 -1.71 0.00 0.00 55.69 56.27 3ii7 s MET 467 Cb -0.17 -1.78 0.08 0.00 2.01 0.00 0.00 34.83 34.98 3ii7 s MET 467 CO 0.37 -2.21 1.67 0.82 -0.01 0.00 0.00 175.02 175.66 3ii7 h ILE 468 N -0.91 1.26 -3.43 2.53 2.04 -1.90 -3.44 117.51 113.67 3ii7 h ILE 468 Ca -0.46 -1.05 -0.68 0.00 1.00 0.00 0.00 64.86 63.67 3ii7 h ILE 468 Cb 1.29 0.69 -0.17 0.00 -0.74 0.00 0.00 36.82 37.90 3ii7 h ILE 468 CO 0.46 0.39 -0.65 -1.61 0.00 0.00 0.00 178.15 176.75 3ii7 s GLU 469 N -5.17 2.99 0.29 2.37 0.41 -1.26 -5.08 118.70 113.25 3ii7 s GLU 469 Ca -0.12 -0.46 -0.29 0.00 -0.41 0.00 0.00 54.97 53.69 3ii7 s GLU 469 Cb 0.14 -2.75 -0.10 0.00 -1.78 0.00 0.00 34.13 29.64 3ii7 s GLU 469 CO 0.85 0.64 1.28 0.00 -0.49 0.00 0.00 175.26 177.54 3ii7 s ALA 470 N -0.72 3.50 -0.13 5.21 0.00 -1.26 -4.62 121.76 123.74 3ii7 s ALA 470 Ca 0.11 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 3ii7 s ALA 470 Cb -0.11 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3ii7 s ALA 470 CO 0.02 -0.55 0.34 1.03 0.00 0.00 0.00 175.76 176.60 3ii7 s ARG 471 N -1.32 0.39 0.15 0.00 0.52 -0.92 -4.50 118.95 113.27 3ii7 s ARG 471 Ca 0.50 0.49 0.04 0.00 -0.52 0.00 0.00 55.73 56.24 3ii7 s ARG 471 Cb -0.38 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 3ii7 s ARG 471 CO 0.48 -0.05 -0.08 -1.59 0.02 0.00 0.00 175.30 174.07 3ii7 s LYS 472 N 0.25 1.07 -1.73 3.54 -2.85 -0.14 -0.36 119.74 119.52 3ii7 s LYS 472 Ca -0.01 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.50 3ii7 s LYS 472 Cb -0.03 -0.54 0.00 0.00 -2.06 0.00 0.00 37.83 35.20 3ii7 s LYS 472 CO -0.00 0.03 0.00 0.09 0.10 0.00 0.00 175.35 175.57 3ii7 n ASN 473 N -0.21 -5.07 -4.90 0.03 5.03 -0.58 -1.23 115.26 108.33 3ii7 n ASN 473 Ca -0.10 0.23 -0.28 0.00 0.87 0.00 0.00 54.58 55.30 3ii7 n ASN 473 Cb 0.61 -4.37 -0.00 0.00 -1.02 0.00 0.00 39.78 35.00 3ii7 n ASN 473 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 3ii7 s HIS 474 N -2.75 3.55 0.54 3.10 -3.43 -1.26 -2.18 115.29 112.86 3ii7 s HIS 474 Ca 0.00 0.87 -0.17 0.00 -0.80 0.00 0.00 55.06 54.97 3ii7 s HIS 474 Cb 0.00 -2.34 -0.07 0.00 -1.43 0.00 0.00 32.58 28.74 3ii7 s HIS 474 CO 0.00 -0.28 1.01 0.20 -2.00 0.00 0.00 174.74 173.67 3ii7 s GLY 475 N -3.97 2.12 -0.25 -1.38 0.00 -0.17 -4.74 107.32 98.93 3ii7 s GLY 475 Ca 0.48 0.28 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 3ii7 s GLY 475 CO 0.43 0.57 0.38 -2.27 0.00 0.00 0.00 173.10 172.22 3ii7 s LEU 476 N -4.15 -0.66 0.00 0.66 2.96 -1.25 -1.01 118.68 115.24 3ii7 s LEU 476 Ca 0.61 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 3ii7 s LEU 476 Cb -0.12 1.14 -0.00 0.00 0.50 0.00 0.00 46.19 47.70 3ii7 s LEU 476 CO 0.32 -0.30 -0.03 0.68 -1.32 0.00 0.00 176.35 175.70 3ii7 s VAL 477 N 2.55 0.22 -0.25 1.68 -7.23 -0.67 -4.81 120.40 111.88 3ii7 s VAL 477 Ca 0.13 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 3ii7 s VAL 477 Cb -0.15 -0.21 -0.05 0.00 0.56 0.00 0.00 36.38 36.53 3ii7 s VAL 477 CO -0.17 -0.02 0.26 0.12 -0.31 0.00 0.00 175.10 174.97 3ii7 s PHE 478 N -0.27 3.28 -0.19 2.82 5.36 -1.26 -0.53 117.98 127.19 3ii7 s PHE 478 Ca -0.01 0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 56.23 3ii7 s PHE 478 Cb -0.02 -2.41 0.06 0.00 -0.34 0.00 0.00 43.02 40.30 3ii7 s PHE 478 CO -0.00 -0.08 0.01 0.08 -1.46 0.00 0.00 175.22 173.77 3ii7 s VAL 479 N 1.55 0.75 0.00 3.12 1.01 -0.22 -4.94 120.40 121.67 3ii7 s VAL 479 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3ii7 s VAL 479 Cb -0.15 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3ii7 s VAL 479 CO 0.08 -0.15 0.00 1.17 0.00 0.00 0.00 175.10 176.21 3ii7 n LYS 480 N 4.97 0.00 -0.47 2.72 4.81 -1.26 -2.22 118.16 126.70 3ii7 n LYS 480 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 3ii7 n LYS 480 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 3ii7 n LYS 480 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3ii7 n ASP 481 N 3.18 0.00 -3.92 3.14 5.75 -1.26 -5.06 116.55 118.37 3ii7 n ASP 481 Ca 0.00 -1.60 -0.10 0.00 -0.01 0.00 0.00 54.79 53.07 3ii7 n ASP 481 Cb 0.00 -0.12 -0.12 0.00 -1.03 0.00 0.00 41.12 39.85 3ii7 n ASP 481 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ii7 s LYS 482 N 0.00 0.18 -0.26 0.11 1.02 -0.94 -3.45 119.74 116.39 3ii7 s LYS 482 Ca 0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 55.66 3ii7 s LYS 482 Cb 0.00 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.40 3ii7 s LYS 482 CO 0.00 -0.03 -0.04 0.42 -0.92 0.00 0.00 175.35 174.78 3ii7 s ILE 483 N -0.78 2.98 -0.15 2.17 1.01 -0.82 -1.06 121.20 124.56 3ii7 s ILE 483 Ca -0.09 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.29 3ii7 s ILE 483 Cb -0.05 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3ii7 s ILE 483 CO -0.00 0.12 0.54 -0.36 0.00 0.00 0.00 174.94 175.23 3ii7 s PHE 484 N 1.32 3.46 -0.25 3.97 0.08 0.31 -0.04 117.98 126.83 3ii7 s PHE 484 Ca -0.01 0.90 -0.10 0.00 0.12 0.00 0.00 56.93 57.84 3ii7 s PHE 484 Cb -0.17 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 3ii7 s PHE 484 CO -0.03 0.03 0.14 0.00 -0.10 0.00 0.00 175.22 175.26 3ii7 s ALA 485 N 1.13 3.47 -0.25 5.36 0.00 0.71 -1.68 121.76 130.50 3ii7 s ALA 485 Ca 0.27 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3ii7 s ALA 485 Cb -0.16 -2.30 0.05 0.00 0.00 0.00 0.00 23.12 20.72 3ii7 s ALA 485 CO 0.11 -0.35 -0.12 0.08 0.00 0.00 0.00 175.76 175.48 3ii7 s VAL 486 N 1.37 2.22 0.00 0.00 1.01 -0.18 -1.68 120.40 123.15 3ii7 s VAL 486 Ca 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.57 3ii7 s VAL 486 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3ii7 s VAL 486 CO 0.06 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3ii7 n GLY 487 N 4.48 3.06 2.80 4.51 0.00 -0.45 -1.00 105.19 118.59 3ii7 n GLY 487 Ca -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3ii7 n GLY 487 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii7 n GLY 488 N 0.00 -0.08 3.36 -0.02 0.00 -1.25 -4.50 105.19 102.70 3ii7 n GLY 488 Ca 0.00 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3ii7 n GLY 488 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ii7 s GLN 489 N 0.00 1.14 0.00 1.61 -2.07 -0.37 -1.39 119.66 118.59 3ii7 s GLN 489 Ca 0.00 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 52.72 3ii7 s GLN 489 Cb 0.00 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.38 3ii7 s GLN 489 CO 0.00 -0.45 0.00 0.27 -1.32 0.00 0.00 175.29 173.79 3ii7 n ASN 490 N -0.24 0.00 0.30 12.60 0.23 0.42 -0.97 115.26 127.60 3ii7 n ASN 490 Ca -0.13 -0.46 0.20 0.00 -0.53 0.00 0.00 54.58 53.66 3ii7 n ASN 490 Cb 0.63 0.00 0.99 0.00 -2.08 0.00 0.00 39.78 39.33 3ii7 n ASN 490 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3ii7 h GLY 491 N 0.00 0.00 -1.77 4.83 0.00 -1.92 -2.42 103.07 101.79 3ii7 h GLY 491 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ii7 h GLY 491 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3ii7 n LEU 492 N -2.98 2.88 0.00 3.11 4.32 -1.26 -5.08 117.00 117.99 3ii7 n LEU 492 Ca -0.02 -1.17 0.00 0.00 -0.02 0.00 0.00 56.01 54.80 3ii7 n LEU 492 Cb 0.14 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3ii7 n LEU 492 CO 0.21 0.54 0.00 0.61 -1.22 0.00 0.00 177.39 177.53 3ii7 n GLY 493 N 1.19 0.73 3.85 -0.72 0.00 -0.91 -5.10 105.19 104.23 3ii7 n GLY 493 Ca 0.14 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 3ii7 n GLY 493 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ii7 s GLY 494 N 0.00 1.59 -0.05 -0.02 0.00 -1.26 -0.44 107.32 107.14 3ii7 s GLY 494 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.18 3ii7 s GLY 494 CO 0.00 -0.05 -0.04 1.08 0.00 0.00 0.00 173.10 174.09 3ii7 s LEU 495 N -5.72 1.24 0.01 0.66 1.43 -0.49 -4.82 118.68 110.98 3ii7 s LEU 495 Ca 0.62 -0.14 0.24 0.00 -1.03 0.00 0.00 54.13 53.82 3ii7 s LEU 495 Cb -0.13 -0.49 0.30 0.00 0.03 0.00 0.00 46.19 45.90 3ii7 s LEU 495 CO 0.51 -0.07 1.26 -0.90 0.23 0.00 0.00 176.35 177.38 3ii7 n ASP 496 N 4.24 0.62 -4.92 2.29 5.75 -1.26 -3.95 116.55 119.31 3ii7 n ASP 496 Ca -0.21 -0.38 -0.26 0.00 -0.01 0.00 0.00 54.79 53.93 3ii7 n ASP 496 Cb 0.51 0.46 0.04 0.00 -1.03 0.00 0.00 41.12 41.10 3ii7 n ASP 496 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ii7 s ASN 497 N -3.17 5.38 -0.06 -1.12 2.20 -1.26 -0.82 114.94 116.09 3ii7 s ASN 497 Ca 0.09 0.60 -0.04 0.00 -0.94 0.00 0.00 52.86 52.57 3ii7 s ASN 497 Cb 0.17 -1.50 0.02 0.00 -2.00 0.00 0.00 41.25 37.94 3ii7 s ASN 497 CO 0.75 -1.20 0.14 -0.69 -2.94 0.00 0.00 177.10 173.16 3ii7 s VAL 498 N -3.03 -0.02 0.09 3.54 1.01 -1.26 -1.34 120.40 119.39 3ii7 s VAL 498 Ca 0.56 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 3ii7 s VAL 498 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3ii7 s VAL 498 CO 0.44 0.03 0.03 -1.83 0.00 0.00 0.00 175.10 173.78 3ii7 s GLU 499 N 0.53 0.79 0.10 2.72 -1.05 -0.67 -1.39 118.70 119.72 3ii7 s GLU 499 Ca -0.04 -1.30 0.05 0.00 -0.15 0.00 0.00 54.97 53.53 3ii7 s GLU 499 Cb -0.05 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 3ii7 s GLU 499 CO -0.02 -0.20 -0.12 1.52 0.95 0.00 0.00 175.26 177.38 3ii7 s TYR 500 N -3.98 1.21 -0.28 4.83 -0.85 0.32 -0.21 117.35 118.38 3ii7 s TYR 500 Ca 0.15 -0.57 -0.14 0.00 -0.52 0.00 0.00 57.07 55.99 3ii7 s TYR 500 Cb 0.07 -0.65 -0.04 0.00 0.38 0.00 0.00 41.96 41.73 3ii7 s TYR 500 CO -0.04 0.06 0.32 -0.47 -1.52 0.00 0.00 175.55 173.90 3ii7 s TYR 501 N -2.05 3.23 -0.59 -3.49 5.04 0.94 -0.98 117.35 119.45 3ii7 s TYR 501 Ca 0.05 0.26 -0.26 0.00 -2.44 0.00 0.00 57.07 54.67 3ii7 s TYR 501 Cb -0.05 -2.54 0.04 0.00 0.35 0.00 0.00 41.96 39.76 3ii7 s TYR 501 CO 0.02 -0.24 1.08 0.34 -1.34 0.00 0.00 175.55 175.40 3ii7 s ASP 502 N 1.69 6.35 0.22 4.32 -1.08 0.48 -1.94 116.67 126.71 3ii7 s ASP 502 Ca 0.12 -0.23 -0.09 0.00 -0.52 0.00 0.00 52.55 51.84 3ii7 s ASP 502 Cb -0.16 -2.50 0.21 0.00 -1.46 0.00 0.00 42.92 39.02 3ii7 s ASP 502 CO 0.11 -1.42 1.88 0.40 0.52 0.00 0.00 175.17 176.66 3ii7 h ILE 503 N 6.07 1.16 -0.57 4.11 2.04 -1.85 0.96 117.51 129.43 3ii7 h ILE 503 Ca -0.26 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 3ii7 h ILE 503 Cb 1.06 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3ii7 h ILE 503 CO 1.16 0.19 0.02 0.50 0.00 0.00 0.00 178.15 180.02 3ii7 h LYS 504 N 1.04 1.00 0.00 2.37 1.63 -1.91 -3.26 116.57 117.44 3ii7 h LYS 504 Ca 0.31 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3ii7 h LYS 504 Cb -0.05 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 3ii7 h LYS 504 CO -0.09 0.98 -0.78 1.28 -3.45 0.00 0.00 179.45 177.39 3ii7 n LEU 505 N -4.25 0.63 -3.63 5.20 4.77 -1.07 -4.98 117.00 113.67 3ii7 n LEU 505 Ca 0.02 0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 3ii7 n LEU 505 Cb 0.32 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3ii7 n LEU 505 CO 0.43 0.03 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.28 3ii7 n ASN 506 N -1.92 -2.27 -3.93 -1.43 5.15 0.31 -5.01 115.26 106.15 3ii7 n ASN 506 Ca 0.03 -0.81 -0.10 0.00 -0.60 0.00 0.00 54.58 53.10 3ii7 n ASN 506 Cb 0.42 -4.19 -0.11 0.00 -0.53 0.00 0.00 39.78 35.36 3ii7 n ASN 506 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ii7 s GLU 507 N -5.76 0.33 -0.03 1.20 2.02 -1.20 -4.55 118.70 110.71 3ii7 s GLU 507 Ca 0.10 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 3ii7 s GLU 507 Cb -0.03 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 3ii7 s GLU 507 CO 0.80 -0.06 0.07 -1.58 0.02 0.00 0.00 175.26 174.51 3ii7 s TRP 508 N -1.25 3.29 -0.02 1.61 0.52 -1.26 -0.39 118.94 121.44 3ii7 s TRP 508 Ca -0.14 0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.23 3ii7 s TRP 508 Cb -0.08 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.48 3ii7 s TRP 508 CO -0.00 0.55 -0.01 0.15 0.02 0.00 0.00 176.95 177.66 3ii7 s LYS 509 N -1.47 0.29 0.37 4.98 1.02 -0.15 -4.89 119.74 119.90 3ii7 s LYS 509 Ca 0.20 -0.01 -0.26 0.00 0.02 0.00 0.00 55.97 55.92 3ii7 s LYS 509 Cb -0.12 -0.39 -0.09 0.00 -0.52 0.00 0.00 37.83 36.71 3ii7 s LYS 509 CO 0.10 -0.05 1.20 -1.64 -0.92 0.00 0.00 175.35 174.04 3ii7 s MET 510 N 0.56 4.16 0.00 1.68 -1.94 -1.26 -0.52 119.30 121.98 3ii7 s MET 510 Ca -0.06 1.94 0.00 0.00 -1.71 0.00 0.00 55.69 55.86 3ii7 s MET 510 Cb -0.08 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.94 3ii7 s MET 510 CO -0.01 -0.25 0.00 1.33 -0.01 0.00 0.00 175.02 176.08 3ii7 n VAL 511 N 0.33 0.00 -2.14 -6.03 0.24 -0.48 -4.91 118.33 105.33 3ii7 n VAL 511 Ca 0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.94 3ii7 n VAL 511 Cb 0.45 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.81 3ii7 n VAL 511 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3ii7 s SER 512 N -0.45 6.26 0.57 -1.34 0.01 -1.26 -4.57 113.70 112.92 3ii7 s SER 512 Ca 0.00 2.50 -0.12 0.00 1.31 0.00 0.00 55.95 59.64 3ii7 s SER 512 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 3ii7 s SER 512 CO 0.00 -0.87 0.99 -2.16 0.41 0.00 0.00 173.24 171.61 3ii7 s PRO 513 N -2.40 3.70 0.64 12.44 0.04 -1.26 -4.50 135.00 143.66 3ii7 s PRO 513 Ca 0.59 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 3ii7 s PRO 513 Cb -0.34 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 3ii7 s PRO 513 CO 0.43 -0.44 1.21 -1.64 0.04 0.00 0.00 177.00 176.60 3ii7 s MET 514 N -4.79 2.70 0.00 4.56 -1.94 0.00 -4.83 119.30 115.00 3ii7 s MET 514 Ca 0.55 1.81 0.14 0.00 -1.71 0.00 0.00 55.69 56.49 3ii7 s MET 514 Cb -0.11 -1.90 0.85 0.00 2.01 0.00 0.00 34.83 35.69 3ii7 s MET 514 CO 0.46 -1.42 1.33 -0.35 -0.01 0.00 0.00 175.02 175.04 3ii7 n PRO 515 N -1.97 0.68 -4.22 2.03 -0.04 -1.26 -4.73 135.00 125.48 3ii7 n PRO 515 Ca 0.14 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.41 3ii7 n PRO 515 Cb 0.50 -1.33 -0.15 0.00 -0.04 0.00 0.00 33.50 32.47 3ii7 n PRO 515 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3ii7 s TRP 516 N -2.00 0.67 -0.28 0.54 -0.00 -1.26 -5.11 118.94 111.49 3ii7 s TRP 516 Ca 0.21 -0.15 0.01 0.00 -0.00 0.00 0.00 56.10 56.18 3ii7 s TRP 516 Cb 0.10 -0.50 0.06 0.00 -0.00 0.00 0.00 33.47 33.13 3ii7 s TRP 516 CO 0.17 -0.08 -0.05 0.21 -0.00 0.00 0.00 176.95 177.19 3ii7 s LYS 517 N 0.26 2.23 0.00 5.86 2.20 -1.26 -4.49 119.74 124.53 3ii7 s LYS 517 Ca -0.03 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 3ii7 s LYS 517 Cb -0.07 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3ii7 s LYS 517 CO -0.00 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 3ii7 n GLY 518 N 4.48 5.63 0.00 5.54 0.00 -1.26 -4.92 105.19 114.66 3ii7 n GLY 518 Ca -0.12 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.34 3ii7 n GLY 518 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ii7 n VAL 519 N 0.00 0.00 -4.08 1.61 0.24 -0.16 -1.74 118.33 114.20 3ii7 n VAL 519 Ca 0.00 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 3ii7 n VAL 519 Cb 0.00 0.38 -0.12 0.00 -1.47 0.00 0.00 33.84 32.63 3ii7 n VAL 519 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ii7 s THR 520 N -2.33 0.66 -0.03 3.34 -4.23 -0.97 -3.18 115.64 108.90 3ii7 s THR 520 Ca -0.02 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 3ii7 s THR 520 Cb 0.03 -0.71 -0.00 0.00 1.34 0.00 0.00 72.50 73.16 3ii7 s THR 520 CO 0.20 -0.35 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.10 3ii7 s VAL 521 N -1.37 1.09 -0.27 2.29 1.01 -0.93 -2.86 120.40 119.37 3ii7 s VAL 521 Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3ii7 s VAL 521 Cb -0.10 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.39 3ii7 s VAL 521 CO 0.01 0.32 -0.06 -0.54 0.00 0.00 0.00 175.10 174.83 3ii7 s LYS 522 N 0.01 2.42 0.11 2.72 -0.14 -0.15 -4.35 119.74 120.37 3ii7 s LYS 522 Ca -0.01 -1.25 -0.06 0.00 -1.36 0.00 0.00 55.97 53.29 3ii7 s LYS 522 Cb -0.09 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 3ii7 s LYS 522 CO 0.01 -0.56 0.16 0.00 -0.76 0.00 0.00 175.35 174.20 3ii7 s ALA 524 N -3.94 -1.37 -0.09 0.00 0.00 -0.40 -4.81 121.76 111.14 3ii7 s ALA 524 Ca 0.13 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 3ii7 s ALA 524 Cb 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3ii7 s ALA 524 CO -0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 175.76 175.33 3ii7 s ALA 525 N -1.16 2.98 -0.10 0.00 0.00 -1.26 -0.57 121.76 121.66 3ii7 s ALA 525 Ca -0.11 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 3ii7 s ALA 525 Cb -0.02 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.80 3ii7 s ALA 525 CO 0.07 0.47 -0.07 0.08 0.00 0.00 0.00 175.76 176.31 3ii7 s VAL 526 N -0.48 0.95 0.00 0.00 1.01 -0.54 -4.97 120.40 116.36 3ii7 s VAL 526 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3ii7 s VAL 526 Cb -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3ii7 s VAL 526 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3ii7 n GLY 527 N 4.76 3.06 0.41 4.51 0.00 -1.26 -2.17 105.19 114.49 3ii7 n GLY 527 Ca -0.14 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.78 3ii7 n GLY 527 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ii7 n SER 528 N 4.57 1.37 -4.60 1.61 7.64 -1.26 -4.87 113.62 118.08 3ii7 n SER 528 Ca 0.00 -1.29 -0.34 0.00 1.01 0.00 0.00 58.87 58.25 3ii7 n SER 528 Cb 0.00 0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 3ii7 n SER 528 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ii7 s ILE 529 N -2.19 4.25 -0.22 0.44 -1.09 -0.92 -1.79 121.20 119.68 3ii7 s ILE 529 Ca 0.32 -0.24 -0.10 0.00 -2.23 0.00 0.00 60.65 58.40 3ii7 s ILE 529 Cb 0.20 -2.85 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 3ii7 s ILE 529 CO 0.40 0.53 0.13 -0.69 -1.23 0.00 0.00 174.94 174.09 3ii7 s VAL 530 N -0.10 5.28 -0.18 2.92 1.01 0.09 -1.47 120.40 127.95 3ii7 s VAL 530 Ca 0.04 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 3ii7 s VAL 530 Cb -0.13 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3ii7 s VAL 530 CO 0.02 0.40 -0.03 -0.31 0.00 0.00 0.00 175.10 175.18 3ii7 s TYR 531 N 0.70 3.00 -0.38 5.22 2.02 0.26 -0.27 117.35 127.90 3ii7 s TYR 531 Ca 0.07 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 3ii7 s TYR 531 Cb -0.12 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3ii7 s TYR 531 CO 0.01 -0.23 0.23 0.08 -1.57 0.00 0.00 175.55 174.08 3ii7 s VAL 532 N 0.83 4.76 -0.41 0.71 1.01 -0.11 -1.27 120.40 125.92 3ii7 s VAL 532 Ca -0.01 -0.79 0.15 0.00 0.00 0.00 0.00 61.98 61.34 3ii7 s VAL 532 Cb -0.14 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.39 3ii7 s VAL 532 CO 0.02 -0.24 0.51 0.18 0.00 0.00 0.00 175.10 175.57 3ii7 n LEU 533 N 5.04 0.40 -3.50 3.92 4.77 -0.35 -1.57 117.00 125.71 3ii7 n LEU 533 Ca -0.12 -0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.47 3ii7 n LEU 533 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 3ii7 n LEU 533 CO 0.38 0.10 0.34 0.00 -1.33 0.00 0.00 177.39 176.88 3ii7 s ALA 534 N -2.72 -1.40 -0.28 -1.18 0.00 -1.19 -0.56 121.76 114.42 3ii7 s ALA 534 Ca 0.01 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 3ii7 s ALA 534 Cb 0.11 0.84 0.18 0.00 0.00 0.00 0.00 23.12 24.25 3ii7 s ALA 534 CO 0.64 -0.75 1.33 0.20 0.00 0.00 0.00 175.76 177.18 3ii7 s GLY 535 N -2.77 0.11 -0.18 0.00 0.00 -1.26 -0.98 107.32 102.23 3ii7 s GLY 535 Ca 0.02 2.91 -0.15 0.00 0.00 0.00 0.00 44.72 47.50 3ii7 s GLY 535 CO -0.12 1.31 0.36 -0.12 0.00 0.00 0.00 173.10 174.53 3ii7 s PHE 536 N -0.76 3.42 0.10 1.90 5.36 -1.13 -0.44 117.98 126.42 3ii7 s PHE 536 Ca 0.07 0.62 0.02 0.00 -0.96 0.00 0.00 56.93 56.69 3ii7 s PHE 536 Cb -0.02 -2.45 -0.24 0.00 -0.34 0.00 0.00 43.02 39.97 3ii7 s PHE 536 CO -0.09 0.10 1.20 0.37 -1.46 0.00 0.00 175.22 175.34 3ii7 h GLN 537 N 7.07 0.11 0.00 10.12 -0.00 -1.14 -0.30 115.11 130.97 3ii7 h GLN 537 Ca -0.38 -0.19 0.00 0.00 -0.00 0.00 0.00 58.65 58.07 3ii7 h GLN 537 Cb 1.16 0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.72 3ii7 h GLN 537 CO 0.73 1.08 0.00 0.41 0.00 0.00 0.00 178.83 181.05 3ii7 n GLY 538 N 1.43 3.55 2.65 2.39 0.00 -1.26 -3.29 105.19 110.66 3ii7 n GLY 538 Ca -0.04 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 3ii7 n GLY 538 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii7 s VAL 539 N 0.00 0.32 0.00 1.61 1.01 -1.26 -5.09 120.40 116.98 3ii7 s VAL 539 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3ii7 s VAL 539 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.28 3ii7 s VAL 539 CO 0.00 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.20 3ii7 n GLY 540 N 5.10 -2.36 3.23 4.51 0.00 -1.26 -5.06 105.19 109.35 3ii7 n GLY 540 Ca -0.06 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 3ii7 n GLY 540 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ii7 s ARG 541 N -0.31 1.09 0.18 1.61 1.70 -1.26 -0.56 118.95 121.40 3ii7 s ARG 541 Ca 0.00 -1.53 -0.32 0.00 -0.47 0.00 0.00 55.73 53.41 3ii7 s ARG 541 Cb 0.00 -0.19 -0.12 0.00 -0.57 0.00 0.00 34.95 34.07 3ii7 s ARG 541 CO 0.00 -0.16 1.72 -0.11 -1.08 0.00 0.00 175.30 175.68 3ii7 n LEU 542 N -0.23 3.84 -0.06 -1.89 7.94 0.41 -4.82 117.00 122.20 3ii7 n LEU 542 Ca -0.06 1.05 -0.18 0.00 -1.11 0.00 0.00 56.01 55.71 3ii7 n LEU 542 Cb 0.63 -1.54 -0.13 0.00 0.53 0.00 0.00 43.42 42.91 3ii7 n LEU 542 CO 0.33 0.10 -1.06 0.61 -1.11 0.00 0.00 177.39 176.26 3ii7 n GLY 543 N 3.93 -0.54 3.16 -3.96 0.00 -1.26 -4.61 105.19 101.91 3ii7 n GLY 543 Ca 0.17 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 3ii7 n GLY 543 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ii7 s HIS 544 N -2.54 1.19 0.69 1.61 3.76 -1.26 -1.28 115.29 117.47 3ii7 s HIS 544 Ca -0.26 -0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 54.05 3ii7 s HIS 544 Cb 0.08 -0.67 0.02 0.00 1.11 0.00 0.00 32.58 33.11 3ii7 s HIS 544 CO 0.70 0.05 1.15 0.96 -0.85 0.00 0.00 174.74 176.75 3ii7 s ILE 545 N -1.26 2.83 0.00 0.60 -4.36 -0.47 -4.59 121.20 113.95 3ii7 s ILE 545 Ca -0.02 0.39 0.04 0.00 -0.26 0.00 0.00 60.65 60.80 3ii7 s ILE 545 Cb -0.10 -2.92 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 3ii7 s ILE 545 CO 0.02 -0.23 -0.11 -0.76 0.24 0.00 0.00 174.94 174.10 3ii7 s LEU 546 N -5.01 2.93 -0.05 0.37 1.43 -0.61 -0.57 118.68 117.17 3ii7 s LEU 546 Ca 0.70 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3ii7 s LEU 546 Cb -0.24 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3ii7 s LEU 546 CO 0.43 0.29 -0.10 -1.61 0.23 0.00 0.00 176.35 175.59 3ii7 s GLU 547 N -1.27 1.40 -0.18 1.70 2.02 -0.00 -0.93 118.70 121.44 3ii7 s GLU 547 Ca 0.15 -0.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.81 3ii7 s GLU 547 Cb -0.11 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.92 3ii7 s GLU 547 CO 0.05 0.02 -0.15 -0.47 0.02 0.00 0.00 175.26 174.74 3ii7 s TYR 548 N 0.64 2.81 -0.51 1.61 5.04 0.62 -1.20 117.35 126.35 3ii7 s TYR 548 Ca -0.12 -1.23 -0.21 0.00 -2.44 0.00 0.00 57.07 53.07 3ii7 s TYR 548 Cb -0.14 -1.94 0.05 0.00 0.35 0.00 0.00 41.96 40.27 3ii7 s TYR 548 CO 0.02 -0.60 0.73 1.21 -1.34 0.00 0.00 175.55 175.57 3ii7 s ASN 549 N 1.10 6.28 0.53 4.32 3.84 -0.19 -0.73 114.94 130.09 3ii7 s ASN 549 Ca 0.00 -0.65 0.28 0.00 0.21 0.00 0.00 52.86 52.70 3ii7 s ASN 549 Cb -0.14 -2.34 1.49 0.00 -0.55 0.00 0.00 41.25 39.70 3ii7 s ASN 549 CO -0.05 -0.99 2.09 0.71 -2.79 0.00 0.00 177.10 176.07 3ii7 h THR 550 N 5.92 0.54 0.00 -5.21 1.35 -1.67 0.64 112.91 114.48 3ii7 h THR 550 Ca -0.27 -0.48 -0.17 0.00 -0.55 0.00 0.00 66.41 64.94 3ii7 h THR 550 Cb 1.09 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.80 3ii7 h THR 550 CO 1.00 0.10 -0.85 -0.33 -0.25 0.00 0.00 175.52 175.19 3ii7 h GLU 551 N 0.00 0.00 -0.00 4.72 4.39 -1.92 -3.34 114.58 118.43 3ii7 h GLU 551 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ii7 h GLU 551 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3ii7 h GLU 551 CO 0.01 0.78 -0.49 0.25 -1.16 0.00 0.00 179.01 178.40 3ii7 n THR 552 N -3.28 0.00 -3.59 1.13 -2.24 -1.06 -5.02 114.28 100.22 3ii7 n THR 552 Ca -0.00 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 3ii7 n THR 552 Cb 0.87 1.03 0.06 0.00 -2.10 0.00 0.00 70.33 70.19 3ii7 n THR 552 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ii7 n ASP 553 N -1.04 -2.63 -4.10 3.42 2.03 0.19 -5.01 116.55 109.42 3ii7 n ASP 553 Ca 0.03 -0.69 -0.28 0.00 0.52 0.00 0.00 54.79 54.37 3ii7 n ASP 553 Cb 0.20 -4.64 -0.17 0.00 -0.72 0.00 0.00 41.12 35.80 3ii7 n ASP 553 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ii7 s LYS 554 N -5.83 2.29 -0.02 -0.67 1.02 -1.18 -4.67 119.74 110.69 3ii7 s LYS 554 Ca 0.15 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.47 3ii7 s LYS 554 Cb -0.07 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 3ii7 s LYS 554 CO 0.77 0.05 0.23 -1.58 -0.92 0.00 0.00 175.35 173.89 3ii7 s TRP 555 N 0.66 3.58 0.05 3.18 0.52 -1.26 -1.02 118.94 124.65 3ii7 s TRP 555 Ca -0.13 0.51 0.04 0.00 0.02 0.00 0.00 56.10 56.53 3ii7 s TRP 555 Cb -0.16 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 3ii7 s TRP 555 CO 0.04 0.64 -0.11 0.14 0.02 0.00 0.00 176.95 177.68 3ii7 s VAL 556 N -1.26 0.80 -0.18 4.03 -7.23 -0.34 -4.98 120.40 111.23 3ii7 s VAL 556 Ca 0.25 -1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 59.20 3ii7 s VAL 556 Cb -0.13 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 3ii7 s VAL 556 CO 0.15 -0.24 0.33 0.00 -0.31 0.00 0.00 175.10 175.04 3ii7 s ALA 557 N -1.18 3.57 -0.58 1.32 0.00 -1.26 -0.82 121.76 122.81 3ii7 s ALA 557 Ca -0.05 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 3ii7 s ALA 557 Cb -0.09 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.60 3ii7 s ALA 557 CO 0.01 -0.10 0.83 1.21 0.00 0.00 0.00 175.76 177.71 3ii7 s ASN 558 N 0.77 6.23 0.16 0.00 3.84 0.27 -4.91 114.94 121.30 3ii7 s ASN 558 Ca 0.17 -0.89 0.18 0.00 0.21 0.00 0.00 52.86 52.53 3ii7 s ASN 558 Cb -0.14 -2.37 0.79 0.00 -0.55 0.00 0.00 41.25 38.98 3ii7 s ASN 558 CO 0.06 -1.20 1.55 -1.54 -2.79 0.00 0.00 177.10 173.17 3ii7 n SER 559 N 7.04 0.38 -0.25 -4.21 3.41 -1.26 -2.33 113.62 116.40 3ii7 n SER 559 Ca -0.04 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 3ii7 n SER 559 Cb 0.45 -0.69 0.10 0.00 -0.26 0.00 0.00 64.21 63.81 3ii7 n SER 559 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ii7 n LYS 560 N -1.94 0.66 -3.91 4.33 4.76 -1.26 -4.84 118.16 115.96 3ii7 n LYS 560 Ca 0.02 -0.50 -0.30 0.00 -2.87 0.00 0.00 58.31 54.66 3ii7 n LYS 560 Cb 0.15 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.70 3ii7 n LYS 560 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ii7 s VAL 561 N -2.68 1.34 0.42 -0.18 1.01 -0.98 -5.11 120.40 114.21 3ii7 s VAL 561 Ca 0.16 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 3ii7 s VAL 561 Cb 0.18 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 3ii7 s VAL 561 CO 0.65 -0.06 1.16 -0.13 0.00 0.00 0.00 175.10 176.72 3ii7 s ARG 562 N 1.49 3.95 0.66 2.72 0.52 -1.26 -1.37 118.95 125.67 3ii7 s ARG 562 Ca -0.04 1.80 -0.11 0.00 -0.52 0.00 0.00 55.73 56.86 3ii7 s ARG 562 Cb -0.18 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 3ii7 s ARG 562 CO -0.07 -0.40 1.05 0.00 0.02 0.00 0.00 175.30 175.90 3ii7 s ALA 563 N -1.47 2.80 0.22 2.13 0.00 -0.40 -4.54 121.76 120.49 3ii7 s ALA 563 Ca 0.59 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 3ii7 s ALA 563 Cb -0.30 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 3ii7 s ALA 563 CO 0.37 -1.03 1.34 0.12 0.00 0.00 0.00 175.76 176.56 3ii7 s PHE 564 N -3.02 3.19 -0.82 0.00 5.36 0.28 -4.89 117.98 118.08 3ii7 s PHE 564 Ca 0.58 1.17 0.26 0.00 -0.96 0.00 0.00 56.93 57.98 3ii7 s PHE 564 Cb -0.13 -3.66 0.81 0.00 -0.34 0.00 0.00 43.02 39.69 3ii7 s PHE 564 CO 0.52 -2.09 1.69 -0.35 -1.46 0.00 0.00 175.22 173.53 3ii7 n PRO 565 N 2.51 0.17 -3.01 10.12 -0.04 -1.26 -4.50 135.00 138.99 3ii7 n PRO 565 Ca 0.06 0.11 -0.44 0.00 -0.04 0.00 0.00 63.50 63.18 3ii7 n PRO 565 Cb 0.42 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 3ii7 n PRO 565 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ii7 s VAL 566 N -3.07 4.75 0.04 0.52 1.01 -1.26 -4.90 120.40 117.49 3ii7 s VAL 566 Ca 0.11 -1.18 0.26 0.00 0.00 0.00 0.00 61.98 61.16 3ii7 s VAL 566 Cb 0.15 -4.63 0.28 0.00 0.00 0.00 0.00 36.38 32.17 3ii7 s VAL 566 CO 0.61 -1.33 1.82 0.71 0.00 0.00 0.00 175.10 176.91 3ii7 h THR 567 N 5.79 0.37 -0.66 3.92 1.35 -1.91 -2.77 112.91 119.00 3ii7 h THR 567 Ca -0.10 -1.02 -0.24 0.00 -0.55 0.00 0.00 66.41 64.50 3ii7 h THR 567 Cb 1.06 1.77 -0.14 0.00 -1.73 0.00 0.00 68.15 69.10 3ii7 h THR 567 CO 1.09 0.16 0.31 -1.54 -0.25 0.00 0.00 175.52 175.28 3ii7 n SER 568 N -3.27 4.13 -4.76 5.36 3.41 -1.26 -4.67 113.62 112.57 3ii7 n SER 568 Ca 0.01 -3.07 -0.31 0.00 -0.26 0.00 0.00 58.87 55.24 3ii7 n SER 568 Cb 0.43 -0.72 0.10 0.00 -0.26 0.00 0.00 64.21 63.76 3ii7 n SER 568 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ii7 s LEU 570 N -5.98 4.32 -0.00 0.00 1.43 -0.14 -4.90 118.68 113.41 3ii7 s LEU 570 Ca 0.62 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 3ii7 s LEU 570 Cb -0.17 -3.36 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 3ii7 s LEU 570 CO 0.56 0.08 -0.02 -0.51 0.23 0.00 0.00 176.35 176.69 3ii7 s ILE 571 N -1.50 0.13 0.16 -0.59 2.07 -1.26 -0.34 121.20 119.86 3ii7 s ILE 571 Ca 0.39 -0.07 -0.21 0.00 -1.41 0.00 0.00 60.65 59.36 3ii7 s ILE 571 Cb -0.15 -0.12 0.06 0.00 0.13 0.00 0.00 42.46 42.37 3ii7 s ILE 571 CO 0.19 0.04 0.54 0.00 -1.91 0.00 0.00 174.94 173.81 3ii7 s VAL 573 N -3.78 5.14 0.07 0.00 1.01 -1.26 -0.50 120.40 121.08 3ii7 s VAL 573 Ca 0.02 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.16 3ii7 s VAL 573 Cb -0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3ii7 s VAL 573 CO -0.11 0.31 -0.14 0.68 0.00 0.00 0.00 175.10 175.84 3ii7 s VAL 574 N 0.64 3.13 -0.25 2.92 -7.23 0.48 -4.70 120.40 115.38 3ii7 s VAL 574 Ca 0.29 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 59.16 3ii7 s VAL 574 Cb -0.16 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 3ii7 s VAL 574 CO 0.12 0.24 0.18 -0.62 -0.31 0.00 0.00 175.10 174.71 3ii7 s ASP 575 N -1.80 6.10 0.00 4.85 -1.08 -1.26 -1.25 116.67 122.23 3ii7 s ASP 575 Ca 0.18 0.09 0.16 0.00 -0.52 0.00 0.00 52.55 52.46 3ii7 s ASP 575 Cb -0.11 -2.12 0.46 0.00 -1.46 0.00 0.00 42.92 39.70 3ii7 s ASP 575 CO 0.09 0.02 1.38 0.35 0.52 0.00 0.00 175.17 177.53 3ii7 n THR 576 N 4.54 0.66 1.09 1.71 -2.24 -0.44 -4.71 114.28 114.88 3ii7 n THR 576 Ca -0.14 -0.67 0.09 0.00 -2.27 0.00 0.00 64.05 61.06 3ii7 n THR 576 Cb 0.52 0.36 0.52 0.00 -2.10 0.00 0.00 70.33 69.63 3ii7 n THR 576 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50