#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mks n LEU 270 N 0.00 2.90 -4.73 -4.53 4.77 -1.26 -4.83 117.00 109.32 3mks n LEU 270 Ca 0.00 -1.41 -0.35 0.00 -0.03 0.00 0.00 56.01 54.22 3mks n LEU 270 Cb 0.00 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 3mks n LEU 270 CO 0.00 0.50 -0.28 -0.54 -1.33 0.00 0.00 177.39 175.74 3mks s LYS 271 N 0.17 3.04 -0.13 3.23 1.02 -1.26 -5.11 119.74 120.72 3mks s LYS 271 Ca 0.00 -0.39 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 3mks s LYS 271 Cb 0.00 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.50 3mks s LYS 271 CO 0.00 0.70 0.32 0.50 -0.92 0.00 0.00 175.35 175.95 3mks s ARG 272 N -1.09 0.33 -1.08 1.68 3.52 -1.26 -5.08 118.95 115.97 3mks s ARG 272 Ca 0.15 0.55 -0.22 0.00 -0.13 0.00 0.00 55.73 56.09 3mks s ARG 272 Cb -0.12 0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.34 3mks s ARG 272 CO 0.05 -0.11 1.65 0.34 -0.81 0.00 0.00 175.30 176.42 3mks s ASP 273 N 0.79 6.20 0.14 -2.12 2.15 -1.26 -4.84 116.67 117.73 3mks s ASP 273 Ca -0.05 -1.56 -0.18 0.00 0.43 0.00 0.00 52.55 51.20 3mks s ASP 273 Cb -0.06 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3mks s ASP 273 CO -0.05 -1.79 1.78 -0.07 -0.17 0.00 0.00 175.17 174.86 3mks h LEU 274 N 14.10 0.37 -0.65 -1.34 3.38 -1.98 0.76 115.31 129.96 3mks h LEU 274 Ca 0.24 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3mks h LEU 274 Cb 0.97 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 3mks h LEU 274 CO 1.38 0.29 0.22 0.40 0.09 0.00 0.00 178.44 180.82 3mks h ILE 275 N 0.42 0.70 -0.12 1.22 1.08 -1.94 -1.29 117.51 117.57 3mks h ILE 275 Ca 0.11 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.42 3mks h ILE 275 Cb -0.02 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 34.01 3mks h ILE 275 CO -0.02 0.07 -0.06 0.74 -0.69 0.00 0.00 178.15 178.19 3mks h THR 276 N 0.38 1.32 -0.15 -0.27 2.02 -1.86 -3.25 112.91 111.10 3mks h THR 276 Ca 0.34 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 3mks h THR 276 Cb 0.48 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3mks h THR 276 CO -0.36 0.31 -0.13 0.28 0.37 0.00 0.00 175.52 175.99 3mks h SER 277 N -0.10 0.22 -4.02 4.18 0.02 -0.65 -3.46 113.55 109.75 3mks h SER 277 Ca 0.03 -0.05 -0.48 0.00 -0.84 0.00 0.00 61.79 60.45 3mks h SER 277 Cb 0.51 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.01 3mks h SER 277 CO 0.02 0.38 0.28 -0.76 -1.14 0.00 0.00 176.83 175.61 3mks s LEU 278 N -8.76 3.67 0.66 5.07 1.02 -0.51 -4.99 118.68 114.84 3mks s LEU 278 Ca -0.05 1.40 -0.17 0.00 0.02 0.00 0.00 54.13 55.32 3mks s LEU 278 Cb 0.15 -4.32 -0.05 0.00 0.02 0.00 0.00 46.19 41.99 3mks s LEU 278 CO 0.73 -0.54 0.69 -2.65 0.02 0.00 0.00 176.35 174.60 3mks n PRO 279 N -1.58 0.51 -0.12 1.29 -0.02 -1.26 -4.71 135.00 129.10 3mks n PRO 279 Ca 0.05 0.21 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 3mks n PRO 279 Cb 0.54 -1.93 0.03 0.00 -0.02 0.00 0.00 33.50 32.11 3mks n PRO 279 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3mks h PHE 280 N -0.02 -0.07 -0.62 6.00 3.57 -1.93 -1.74 116.94 122.13 3mks h PHE 280 Ca -0.46 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 3mks h PHE 280 Cb 1.36 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 3mks h PHE 280 CO 0.35 -0.10 0.29 0.93 -2.23 0.00 0.00 178.31 177.55 3mks h GLU 281 N 0.08 0.88 -0.61 1.11 3.07 -2.00 -2.17 114.58 114.94 3mks h GLU 281 Ca 0.20 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 3mks h GLU 281 Cb 0.29 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3mks h GLU 281 CO -0.35 0.68 0.08 0.82 -1.40 0.00 0.00 179.01 178.84 3mks h ILE 282 N 0.87 1.26 -0.49 3.13 5.03 -1.68 -1.52 117.51 124.11 3mks h ILE 282 Ca 0.22 -1.04 -0.01 0.00 -0.12 0.00 0.00 64.86 63.91 3mks h ILE 282 Cb 0.10 0.74 -0.02 0.00 -3.03 0.00 0.00 36.82 34.60 3mks h ILE 282 CO -0.03 0.38 0.26 0.28 -0.68 0.00 0.00 178.15 178.36 3mks h SER 283 N 0.93 0.59 -0.20 1.72 0.02 -0.76 -1.79 113.55 114.06 3mks h SER 283 Ca 0.18 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 3mks h SER 283 Cb 0.46 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3mks h SER 283 CO 0.02 0.49 -0.45 -0.07 -1.14 0.00 0.00 176.83 175.68 3mks h LEU 284 N 0.68 0.83 0.02 5.07 3.38 -1.05 -0.05 115.31 124.18 3mks h LEU 284 Ca 0.17 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3mks h LEU 284 Cb 0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3mks h LEU 284 CO -0.03 1.15 -0.53 0.50 0.09 0.00 0.00 178.44 179.62 3mks h LYS 285 N 0.61 -0.66 -0.53 1.13 3.64 -0.91 0.26 116.57 120.11 3mks h LYS 285 Ca 0.04 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 3mks h LYS 285 Cb 1.01 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.88 3mks h LYS 285 CO 0.10 -0.44 -0.27 0.82 -2.27 0.00 0.00 179.45 177.38 3mks h ILE 286 N -0.69 0.26 0.00 2.00 2.04 -1.19 0.12 117.51 120.06 3mks h ILE 286 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3mks h ILE 286 Cb 0.73 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3mks h ILE 286 CO -0.35 0.00 -0.09 -0.26 0.00 0.00 0.00 178.15 177.45 3mks h PHE 287 N -0.14 0.00 -0.00 1.37 0.04 -0.38 -1.90 116.94 115.93 3mks h PHE 287 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 3mks h PHE 287 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 3mks h PHE 287 CO -0.56 0.09 -0.05 0.09 -0.60 0.00 0.00 178.31 177.27 3mks n ASN 288 N -3.43 0.24 -0.23 2.17 3.02 0.86 -2.25 115.26 115.64 3mks n ASN 288 Ca -0.01 -0.44 0.14 0.00 -0.03 0.00 0.00 54.58 54.24 3mks n ASN 288 Cb 0.24 -0.15 0.55 0.00 -0.61 0.00 0.00 39.78 39.81 3mks n ASN 288 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3mks n TYR 289 N -1.09 0.00 -4.03 3.10 4.01 -0.71 -4.95 117.16 113.48 3mks n TYR 289 Ca 0.15 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.64 3mks n TYR 289 Cb 0.25 -0.10 -0.04 0.00 -0.31 0.00 0.00 39.34 39.13 3mks n TYR 289 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3mks s LEU 290 N -2.32 4.03 0.69 7.72 1.43 -0.95 -5.10 118.68 124.18 3mks s LEU 290 Ca 0.31 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 3mks s LEU 290 Cb 0.20 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.82 3mks s LEU 290 CO 0.44 0.03 1.06 -1.10 0.23 0.00 0.00 176.35 177.02 3mks s GLN 291 N -3.35 2.95 0.50 1.70 -0.21 -1.26 -4.88 119.66 115.10 3mks s GLN 291 Ca 0.33 0.97 0.29 0.00 0.02 0.00 0.00 55.36 56.97 3mks s GLN 291 Cb -0.10 -1.99 1.18 0.00 1.00 0.00 0.00 33.01 33.10 3mks s GLN 291 CO 0.26 -1.09 1.92 0.27 -2.12 0.00 0.00 175.29 174.53 3mks h PHE 292 N -0.66 0.00 -0.51 0.91 -5.15 -1.99 -1.07 116.94 108.48 3mks h PHE 292 Ca -0.44 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.32 3mks h PHE 292 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.36 3mks h PHE 292 CO 0.62 0.11 0.29 0.93 -2.00 0.00 0.00 178.31 178.26 3mks h GLU 293 N 0.00 0.70 0.00 6.09 3.07 -2.00 -1.36 114.58 121.09 3mks h GLU 293 Ca -0.00 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 3mks h GLU 293 Cb 0.60 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3mks h GLU 293 CO 0.01 0.53 -0.26 -0.44 -1.40 0.00 0.00 179.01 177.46 3mks h ASP 294 N 0.68 0.00 -0.06 1.42 3.32 -1.57 -2.02 116.42 118.20 3mks h ASP 294 Ca 0.18 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.98 3mks h ASP 294 Cb 0.02 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.59 3mks h ASP 294 CO -0.03 0.26 -0.94 0.40 -1.72 0.00 0.00 179.24 177.20 3mks h ILE 295 N 0.00 1.28 -0.57 0.35 2.04 -0.98 0.03 117.51 119.66 3mks h ILE 295 Ca -0.00 -2.14 0.04 0.00 1.00 0.00 0.00 64.86 63.76 3mks h ILE 295 Cb 0.54 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 3mks h ILE 295 CO 0.03 0.67 0.32 0.40 0.00 0.00 0.00 178.15 179.57 3mks h ILE 296 N 0.45 1.01 -0.48 -0.67 5.03 -1.13 -1.20 117.51 120.52 3mks h ILE 296 Ca -0.10 -0.21 -0.01 0.00 -0.12 0.00 0.00 64.86 64.41 3mks h ILE 296 Cb 1.59 0.33 -0.02 0.00 -3.03 0.00 0.00 36.82 35.69 3mks h ILE 296 CO 0.19 0.11 0.26 0.78 -0.68 0.00 0.00 178.15 178.81 3mks h ASN 297 N 0.62 0.60 -0.78 1.72 2.35 -1.18 -2.10 115.58 116.81 3mks h ASN 297 Ca 0.24 -0.09 0.13 0.00 -0.55 0.00 0.00 56.30 56.02 3mks h ASN 297 Cb 0.09 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 3mks h ASN 297 CO -0.13 0.51 0.51 0.28 -1.65 0.00 0.00 177.43 176.96 3mks h SER 298 N 0.63 0.53 -0.04 5.81 0.02 -0.70 -0.79 113.55 119.01 3mks h SER 298 Ca 0.17 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3mks h SER 298 Cb 0.05 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3mks h SER 298 CO -0.03 0.29 0.07 -0.07 -1.14 0.00 0.00 176.83 175.96 3mks h LEU 299 N 0.58 0.00 -2.16 5.07 3.38 -0.50 -0.39 115.31 121.29 3mks h LEU 299 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3mks h LEU 299 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3mks h LEU 299 CO -0.14 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.00 3mks n GLY 300 N -1.27 1.33 0.17 0.83 0.00 -0.31 -4.26 105.19 101.68 3mks n GLY 300 Ca -0.02 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 3mks n GLY 300 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mks h VAL 301 N 3.63 1.32 -1.43 1.61 2.07 -0.92 -3.49 116.25 119.04 3mks h VAL 301 Ca 0.00 -1.31 0.32 0.00 0.82 0.00 0.00 66.70 66.53 3mks h VAL 301 Cb 0.84 1.69 -0.13 0.00 -1.52 0.00 0.00 31.29 32.17 3mks h VAL 301 CO 0.00 0.40 0.83 -0.94 0.02 0.00 0.00 177.57 177.89 3mks s SER 302 N -6.27 -0.06 0.20 0.57 1.04 -1.26 -4.98 113.70 102.94 3mks s SER 302 Ca -0.13 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 3mks s SER 302 Cb 0.07 0.15 0.23 0.00 0.10 0.00 0.00 66.02 66.57 3mks s SER 302 CO 0.78 -0.28 1.74 1.56 0.98 0.00 0.00 173.24 178.02 3mks h GLN 303 N 2.00 0.34 -0.62 4.02 1.08 -1.94 0.16 115.11 120.15 3mks h GLN 303 Ca -0.29 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 56.83 3mks h GLN 303 Cb 1.20 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 3mks h GLN 303 CO 0.28 0.22 0.11 -0.97 -0.95 0.00 0.00 178.83 177.52 3mks h ASN 304 N 0.35 0.94 0.24 1.46 -0.73 -1.98 0.64 115.58 116.51 3mks h ASN 304 Ca 0.28 -0.20 -0.12 0.00 1.87 0.00 0.00 56.30 58.12 3mks h ASN 304 Cb 0.34 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 3mks h ASN 304 CO -0.30 0.93 -0.46 -0.50 -0.37 0.00 0.00 177.43 176.73 3mks h TRP 305 N 0.94 0.32 -0.00 0.67 4.06 -1.73 -1.38 115.95 118.83 3mks h TRP 305 Ca 0.19 -0.10 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 3mks h TRP 305 Cb 0.39 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3mks h TRP 305 CO 0.03 0.69 0.00 -0.97 -3.56 0.00 0.00 178.44 174.62 3mks h ASN 306 N 0.22 0.01 0.01 -3.49 -1.24 0.33 -1.00 115.58 110.41 3mks h ASN 306 Ca 0.01 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 56.83 3mks h ASN 306 Cb 0.90 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.95 3mks h ASN 306 CO 0.07 0.19 -0.01 0.50 -1.29 0.00 0.00 177.43 176.90 3mks h LYS 307 N -0.18 -0.02 -0.36 6.67 3.11 0.41 -2.21 116.57 123.99 3mks h LYS 307 Ca 0.00 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.92 3mks h LYS 307 Cb 0.19 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.34 3mks h LYS 307 CO -0.00 0.05 -0.17 0.82 -2.81 0.00 0.00 179.45 177.34 3mks h ILE 308 N -0.07 0.49 -0.29 2.00 2.04 -1.18 -0.49 117.51 120.01 3mks h ILE 308 Ca -0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 3mks h ILE 308 Cb 0.07 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3mks h ILE 308 CO 0.00 0.00 -0.18 0.40 0.00 0.00 0.00 178.15 178.37 3mks h ILE 309 N -0.10 1.25 -0.00 -0.67 2.04 -0.97 -2.73 117.51 116.32 3mks h ILE 309 Ca 0.18 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3mks h ILE 309 Cb 0.38 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3mks h ILE 309 CO -0.43 0.37 -0.09 0.54 0.00 0.00 0.00 178.15 178.54 3mks n ARG 310 N -4.16 0.29 0.20 2.37 1.74 -0.65 -3.22 116.66 113.23 3mks n ARG 310 Ca 0.00 -0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.14 3mks n ARG 310 Cb 0.37 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.45 3mks n ARG 310 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3mks h LYS 311 N 0.14 0.00 -4.77 5.56 3.64 -0.79 -3.42 116.57 116.92 3mks h LYS 311 Ca 0.00 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.70 3mks h LYS 311 Cb 0.41 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.04 3mks h LYS 311 CO 0.00 0.01 -0.36 0.45 -2.27 0.00 0.00 179.45 177.28 3mks s SER 312 N -6.05 6.13 0.25 4.20 0.15 -1.20 -4.90 113.70 112.28 3mks s SER 312 Ca 0.06 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.24 3mks s SER 312 Cb 0.06 -2.18 0.29 0.00 -1.71 0.00 0.00 66.02 62.49 3mks s SER 312 CO 0.69 -0.37 1.60 0.74 1.20 0.00 0.00 173.24 177.11 3mks h THR 313 N 5.58 1.34 0.00 6.45 2.02 -1.90 -3.18 112.91 123.21 3mks h THR 313 Ca -0.29 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.15 3mks h THR 313 Cb 1.14 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3mks h THR 313 CO 0.70 0.52 -0.25 0.77 0.37 0.00 0.00 175.52 177.63 3mks h SER 314 N 0.26 0.00 -0.29 4.18 4.64 -1.98 -1.84 113.55 118.52 3mks h SER 314 Ca 0.01 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 3mks h SER 314 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3mks h SER 314 CO 0.08 0.03 -0.16 0.25 -0.87 0.00 0.00 176.83 176.15 3mks h LEU 315 N 0.00 0.65 -0.31 5.97 6.46 -1.92 -2.33 115.31 123.83 3mks h LEU 315 Ca 0.00 -0.42 -0.19 0.00 -0.12 0.00 0.00 57.88 57.15 3mks h LEU 315 Cb 0.83 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3mks h LEU 315 CO 0.00 0.93 -0.85 -0.50 -0.62 0.00 0.00 178.44 177.39 3mks h TRP 316 N 0.37 0.27 0.34 1.25 4.06 -1.56 -1.89 115.95 118.79 3mks h TRP 316 Ca 0.06 -0.15 -0.00 0.00 2.06 0.00 0.00 58.89 60.86 3mks h TRP 316 Cb 0.69 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.79 3mks h TRP 316 CO 0.06 0.95 -0.48 -0.22 -3.56 0.00 0.00 178.44 175.19 3mks h LYS 317 N 0.10 -0.83 -0.94 0.49 3.64 -1.38 0.63 116.57 118.29 3mks h LYS 317 Ca -0.04 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 3mks h LYS 317 Cb 1.48 0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 33.40 3mks h LYS 317 CO 0.13 -0.55 0.56 0.87 -2.27 0.00 0.00 179.45 178.19 3mks h LYS 318 N -0.86 0.83 -0.50 1.90 1.57 -1.31 0.43 116.57 118.63 3mks h LYS 318 Ca -0.04 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3mks h LYS 318 Cb 0.78 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 3mks h LYS 318 CO -0.14 0.55 0.15 -0.07 -0.57 0.00 0.00 179.45 179.37 3mks h LEU 319 N 0.86 0.74 -1.50 2.94 3.38 -0.82 0.12 115.31 121.02 3mks h LEU 319 Ca 0.48 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3mks h LEU 319 Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3mks h LEU 319 CO -0.30 0.76 -0.23 -0.07 0.09 0.00 0.00 178.44 178.70 3mks h LEU 320 N 0.68 0.03 0.24 1.67 3.38 0.12 -2.19 115.31 119.25 3mks h LEU 320 Ca 0.16 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.81 3mks h LEU 320 Cb 0.29 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 41.07 3mks h LEU 320 CO -0.00 0.26 -1.40 0.40 0.09 0.00 0.00 178.44 177.79 3mks h ILE 321 N 0.03 1.30 0.00 1.22 2.04 -0.55 0.89 117.51 122.44 3mks h ILE 321 Ca 0.00 -2.67 -0.09 0.00 1.00 0.00 0.00 64.86 63.11 3mks h ILE 321 Cb 0.42 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 3mks h ILE 321 CO 0.03 0.80 -0.41 0.77 0.00 0.00 0.00 178.15 179.34 3mks h SER 322 N 0.07 0.00 -0.27 1.72 4.64 -0.18 0.27 113.55 119.80 3mks h SER 322 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3mks h SER 322 Cb 2.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.19 3mks h SER 322 CO 0.26 0.41 0.00 -0.62 -0.87 0.00 0.00 176.83 176.01 3mks n GLU 323 N -3.80 1.64 -2.84 4.77 -0.58 -0.97 -4.93 120.64 113.93 3mks n GLU 323 Ca -0.01 -0.97 -0.18 0.00 -0.42 0.00 0.00 57.16 55.58 3mks n GLU 323 Cb 0.48 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 3mks n GLU 323 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3mks n ASN 324 N 0.29 -4.31 -0.02 1.62 3.02 0.96 -4.82 115.26 111.99 3mks n ASN 324 Ca 0.09 -0.09 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 3mks n ASN 324 Cb 0.24 -3.59 0.57 0.00 -0.61 0.00 0.00 39.78 36.38 3mks n ASN 324 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3mks n PHE 325 N -3.79 0.00 -3.63 3.10 0.99 0.29 -4.83 117.46 109.60 3mks n PHE 325 Ca -0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.30 3mks n PHE 325 Cb 0.59 -0.38 -0.02 0.00 -1.00 0.00 0.00 39.48 38.68 3mks n PHE 325 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3mks s VAL 326 N -2.86 0.00 0.26 -4.37 0.11 -1.14 -5.01 120.40 107.38 3mks s VAL 326 Ca 0.18 -0.31 0.10 0.00 -2.93 0.00 0.00 61.98 59.03 3mks s VAL 326 Cb 0.19 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 3mks s VAL 326 CO 0.54 0.00 -0.10 -0.94 -3.33 0.00 0.00 175.10 171.28 3mks s SER 327 N -2.71 4.10 0.25 3.54 1.04 -1.26 -4.21 113.70 114.45 3mks s SER 327 Ca 0.09 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 3mks s SER 327 Cb -0.01 -0.60 0.48 0.00 0.10 0.00 0.00 66.02 66.00 3mks s SER 327 CO -0.03 0.03 1.73 -0.65 0.98 0.00 0.00 173.24 175.30 3mks h PRO 328 N 2.21 0.44 -1.23 4.02 0.11 -1.99 -2.59 132.00 132.97 3mks h PRO 328 Ca -0.43 -0.03 -0.50 0.00 0.11 0.00 0.00 66.00 65.16 3mks h PRO 328 Cb 1.25 -0.10 -0.22 0.00 0.11 0.00 0.00 31.00 32.04 3mks h PRO 328 CO 0.59 0.29 0.64 1.63 -0.21 0.00 0.00 178.00 180.94 3mks n LYS 329 N -5.00 2.23 0.00 1.05 5.02 -1.26 -3.01 118.16 117.20 3mks n LYS 329 Ca 0.15 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 3mks n LYS 329 Cb 0.43 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 3mks n LYS 329 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mks n GLY 330 N -0.35 1.00 0.10 0.72 0.00 -0.99 -4.98 105.19 100.70 3mks n GLY 330 Ca 0.47 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 3mks n GLY 330 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3mks h PHE 331 N 0.00 0.37 -0.95 1.61 3.57 -1.43 -2.95 116.94 117.15 3mks h PHE 331 Ca 0.00 -0.24 0.15 0.00 3.53 0.00 0.00 57.97 61.41 3mks h PHE 331 Cb 0.20 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 3mks h PHE 331 CO 0.00 1.12 0.56 -0.91 -2.23 0.00 0.00 178.31 176.86 3mks h ASN 332 N -0.50 0.76 0.29 0.41 2.35 -1.91 0.21 115.58 117.20 3mks h ASN 332 Ca -0.07 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mks h ASN 332 Cb 1.29 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 3mks h ASN 332 CO 0.09 0.35 -0.31 -1.28 -1.65 0.00 0.00 177.43 174.63 3mks h SER 333 N 0.81 -0.84 -0.63 5.81 0.87 -1.95 -1.16 113.55 116.45 3mks h SER 333 Ca 0.51 0.08 0.12 0.00 -1.23 0.00 0.00 61.79 61.27 3mks h SER 333 Cb 0.65 0.29 -0.09 0.00 -0.44 0.00 0.00 62.40 62.81 3mks h SER 333 CO -0.33 -0.44 0.15 0.25 -0.53 0.00 0.00 176.83 175.93 3mks h LEU 334 N -0.64 0.02 0.20 2.23 5.85 -1.22 -1.42 115.31 120.33 3mks h LEU 334 Ca -0.01 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3mks h LEU 334 Cb 0.59 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3mks h LEU 334 CO -0.08 0.01 -0.33 0.78 -0.34 0.00 0.00 178.44 178.49 3mks h ASN 335 N 0.27 -0.93 -0.36 1.25 2.35 -0.27 -0.94 115.58 116.95 3mks h ASN 335 Ca 0.34 0.10 0.08 0.00 -0.55 0.00 0.00 56.30 56.26 3mks h ASN 335 Cb 0.51 0.34 -0.08 0.00 0.05 0.00 0.00 38.32 39.13 3mks h ASN 335 CO -0.42 -0.43 -0.22 -0.07 -1.65 0.00 0.00 177.43 174.64 3mks h LEU 336 N -0.60 -0.74 -1.35 1.61 3.38 -0.95 -0.31 115.31 116.34 3mks h LEU 336 Ca 0.01 0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.25 3mks h LEU 336 Cb 0.60 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 3mks h LEU 336 CO -0.14 -0.25 0.54 0.11 0.09 0.00 0.00 178.44 178.78 3mks h LYS 337 N -0.17 0.66 -0.28 1.13 1.79 -0.94 -1.69 116.57 117.08 3mks h LYS 337 Ca 0.18 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.52 3mks h LYS 337 Cb 0.45 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 3mks h LYS 337 CO -0.46 0.44 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.11 3mks h LEU 338 N 0.68 0.62 -1.96 2.94 3.38 -0.11 -1.09 115.31 119.77 3mks h LEU 338 Ca 0.39 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3mks h LEU 338 Cb 0.58 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3mks h LEU 338 CO -0.16 0.91 0.08 0.77 0.09 0.00 0.00 178.44 180.13 3mks h SER 339 N 0.34 0.04 -0.18 -0.43 4.64 -0.23 0.49 113.55 118.22 3mks h SER 339 Ca 0.06 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 3mks h SER 339 Cb 0.69 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3mks h SER 339 CO 0.05 0.03 -0.10 1.56 -0.87 0.00 0.00 176.83 177.49 3mks h GLN 340 N 0.05 0.38 -0.28 4.77 4.20 -1.24 -2.97 115.11 120.02 3mks h GLN 340 Ca 0.05 -0.18 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 3mks h GLN 340 Cb 0.13 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3mks h GLN 340 CO -0.00 0.70 -0.47 -0.22 -0.67 0.00 0.00 178.83 178.16 3mks h LYS 341 N 0.06 0.81 -2.54 1.46 3.64 -0.46 -3.39 116.57 116.16 3mks h LYS 341 Ca 0.04 -0.50 -0.60 0.00 -1.27 0.00 0.00 60.65 58.31 3mks h LYS 341 Cb 0.60 0.05 -0.41 0.00 -0.41 0.00 0.00 32.23 32.06 3mks h LYS 341 CO 0.03 1.13 -0.68 0.66 -2.27 0.00 0.00 179.45 178.33 3mks n TYR 342 N -4.09 2.62 0.23 1.91 4.01 0.17 -4.92 117.16 117.08 3mks n TYR 342 Ca -0.04 -4.07 0.13 0.00 -0.16 0.00 0.00 57.90 53.75 3mks n TYR 342 Cb 0.59 -0.48 0.32 0.00 -0.31 0.00 0.00 39.34 39.46 3mks n TYR 342 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3mks h PRO 343 N 4.77 0.00 -0.03 -0.72 0.13 -1.72 -2.47 132.00 131.96 3mks h PRO 343 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3mks h PRO 343 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3mks h PRO 343 CO 0.70 0.05 0.00 1.63 -0.23 0.00 0.00 178.00 180.15 3mks n LYS 344 N -3.12 1.12 -4.22 0.86 5.02 -1.26 -4.85 118.16 111.71 3mks n LYS 344 Ca 0.03 -0.18 -0.26 0.00 -2.02 0.00 0.00 58.31 55.88 3mks n LYS 344 Cb 0.48 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 34.17 3mks n LYS 344 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mks s LEU 345 N -1.44 3.31 0.65 -0.35 1.43 -0.93 -5.12 118.68 116.23 3mks s LEU 345 Ca 0.22 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 3mks s LEU 345 Cb 0.11 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3mks s LEU 345 CO 0.17 0.07 1.04 -0.94 0.23 0.00 0.00 176.35 176.93 3mks s SER 346 N -3.06 5.86 0.12 2.29 1.04 -1.26 -4.82 113.70 113.88 3mks s SER 346 Ca 0.28 1.53 -0.27 0.00 0.48 0.00 0.00 55.95 57.96 3mks s SER 346 Cb -0.09 -2.48 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 3mks s SER 346 CO 0.19 -1.12 1.61 -0.61 0.98 0.00 0.00 173.24 174.30 3mks h GLN 347 N -0.41 -0.45 -0.60 4.02 4.15 -1.97 0.39 115.11 120.23 3mks h GLN 347 Ca -0.44 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.13 3mks h GLN 347 Cb 1.20 0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.90 3mks h GLN 347 CO 0.60 -0.30 0.06 1.96 -1.93 0.00 0.00 178.83 179.21 3mks h GLN 348 N -0.47 0.17 0.00 1.69 7.50 -1.89 -0.21 115.11 121.90 3mks h GLN 348 Ca 0.06 -0.01 -0.14 0.00 0.50 0.00 0.00 58.65 59.07 3mks h GLN 348 Cb 0.56 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 3mks h GLN 348 CO -0.27 0.11 -0.65 -0.44 -1.50 0.00 0.00 178.83 176.09 3mks h ASP 349 N 0.17 0.00 -0.51 1.46 3.32 -1.48 -2.02 116.42 117.37 3mks h ASP 349 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3mks h ASP 349 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3mks h ASP 349 CO -0.46 0.65 0.25 0.03 -1.72 0.00 0.00 179.24 177.98 3mks h ARG 350 N 0.00 0.73 -0.52 3.56 3.08 0.14 -1.88 114.38 119.48 3mks h ARG 350 Ca -0.01 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 3mks h ARG 350 Cb 1.16 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3mks h ARG 350 CO 0.08 0.60 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.47 3mks h LEU 351 N 0.68 0.95 -0.05 3.04 3.38 -0.73 -1.31 115.31 121.26 3mks h LEU 351 Ca 0.18 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3mks h LEU 351 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3mks h LEU 351 CO -0.02 1.05 0.02 -0.09 0.09 0.00 0.00 178.44 179.48 3mks h ARG 352 N 0.82 0.08 -0.16 1.13 2.43 -1.30 0.28 114.38 117.66 3mks h ARG 352 Ca 0.14 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3mks h ARG 352 Cb 0.59 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3mks h ARG 352 CO 0.04 0.26 0.03 -0.07 -1.51 0.00 0.00 179.97 178.71 3mks h LEU 353 N -0.12 0.20 -0.59 3.80 3.38 -1.22 0.47 115.31 121.22 3mks h LEU 353 Ca 0.02 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3mks h LEU 353 Cb 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3mks h LEU 353 CO -0.00 0.22 -0.25 -1.28 0.09 0.00 0.00 178.44 177.22 3mks h SER 354 N 0.22 0.88 0.02 -0.43 0.87 0.01 0.28 113.55 115.40 3mks h SER 354 Ca 0.06 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3mks h SER 354 Cb 0.11 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3mks h SER 354 CO -0.00 1.08 -0.01 0.15 -0.53 0.00 0.00 176.83 177.52 3mks h PHE 355 N 0.73 -0.03 -0.28 2.24 3.57 0.52 -1.67 116.94 122.02 3mks h PHE 355 Ca 0.09 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3mks h PHE 355 Cb 0.79 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3mks h PHE 355 CO 0.05 0.20 0.02 -0.07 -2.23 0.00 0.00 178.31 176.28 3mks h LEU 356 N -0.25 0.39 -0.25 0.59 3.38 -0.63 -0.41 115.31 118.13 3mks h LEU 356 Ca -0.00 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 3mks h LEU 356 Cb 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3mks h LEU 356 CO 0.00 0.44 -0.74 -0.08 0.09 0.00 0.00 178.44 178.16 3mks h GLU 357 N 0.41 0.70 -0.28 1.13 4.81 -0.88 -3.00 114.58 117.48 3mks h GLU 357 Ca 0.09 -0.55 -0.19 0.00 -0.13 0.00 0.00 59.36 58.58 3mks h GLU 357 Cb 0.24 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3mks h GLU 357 CO 0.00 1.17 -0.57 -0.91 -0.73 0.00 0.00 179.01 177.97 3mks h ASN 358 N 0.49 0.96 -0.68 1.04 -0.26 -0.44 -1.81 115.58 114.87 3mks h ASN 358 Ca -0.04 -0.53 0.04 0.00 -0.56 0.00 0.00 56.30 55.22 3mks h ASN 358 Cb 1.35 -0.28 -0.05 0.00 -1.06 0.00 0.00 38.32 38.28 3mks h ASN 358 CO 0.15 1.33 0.41 0.40 -1.06 0.00 0.00 177.43 178.65 3mks h ILE 359 N 0.65 1.03 -0.11 2.81 1.08 -1.15 0.22 117.51 122.05 3mks h ILE 359 Ca 0.01 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3mks h ILE 359 Cb 1.18 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3mks h ILE 359 CO 0.13 0.14 0.00 0.15 -0.69 0.00 0.00 178.15 177.88 3mks h PHE 360 N 0.78 -0.00 -0.56 1.37 3.57 -1.35 0.29 116.94 121.03 3mks h PHE 360 Ca 0.29 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 3mks h PHE 360 Cb 0.10 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3mks h PHE 360 CO -0.06 -0.01 0.13 0.82 -2.23 0.00 0.00 178.31 176.96 3mks h ILE 361 N 0.04 1.25 0.07 1.41 2.04 -0.93 -2.31 117.51 119.09 3mks h ILE 361 Ca 0.05 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3mks h ILE 361 Cb 0.06 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3mks h ILE 361 CO -0.08 0.33 -0.03 0.25 0.00 0.00 0.00 178.15 178.62 3mks h LEU 362 N 0.81 -0.08 -0.91 1.44 5.85 -0.21 -0.79 115.31 121.42 3mks h LEU 362 Ca 0.18 -0.16 0.24 0.00 0.84 0.00 0.00 57.88 58.98 3mks h LEU 362 Cb 0.36 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.28 3mks h LEU 362 CO 0.00 0.11 0.39 0.11 -0.34 0.00 0.00 178.44 178.71 3mks h LYS 363 N -0.26 0.33 -0.20 1.25 1.57 -0.37 0.56 116.57 119.46 3mks h LYS 363 Ca -0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3mks h LYS 363 Cb 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3mks h LYS 363 CO 0.02 0.22 0.03 -0.91 -0.57 0.00 0.00 179.45 178.23 3mks h ASN 364 N 0.34 0.33 -0.33 0.86 -0.26 -1.16 -2.02 115.58 113.34 3mks h ASN 364 Ca 0.59 -0.27 0.10 0.00 -0.56 0.00 0.00 56.30 56.15 3mks h ASN 364 Cb 1.18 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 38.34 3mks h ASN 364 CO -0.57 0.52 0.27 -0.50 -1.06 0.00 0.00 177.43 176.09 3mks h TRP 365 N 0.13 0.00 -0.00 1.19 4.06 0.76 -2.71 115.95 119.38 3mks h TRP 365 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3mks h TRP 365 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3mks h TRP 365 CO 0.02 0.00 -0.63 0.66 -3.56 0.00 0.00 178.44 174.93 3mks n TYR 366 N -4.17 0.00 -3.55 0.49 4.01 0.17 -4.88 117.16 109.23 3mks n TYR 366 Ca 0.05 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.41 3mks n TYR 366 Cb 0.44 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.22 3mks n TYR 366 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3mks s ASN 367 N -2.93 6.10 0.02 7.72 2.47 -0.89 -4.93 114.94 122.49 3mks s ASN 367 Ca 0.12 0.09 0.17 0.00 0.42 0.00 0.00 52.86 53.65 3mks s ASN 367 Cb 0.17 -2.14 0.71 0.00 -1.45 0.00 0.00 41.25 38.55 3mks s ASN 367 CO 0.73 -0.06 1.53 -2.65 -3.72 0.00 0.00 177.10 172.93 3mks n PRO 368 N 4.99 0.02 0.02 0.43 -0.02 -1.26 -1.98 135.00 137.20 3mks n PRO 368 Ca -0.13 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.51 3mks n PRO 368 Cb 0.52 -1.53 -0.13 0.00 -0.02 0.00 0.00 33.50 32.33 3mks n PRO 368 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mks h LYS 369 N 0.00 0.00 -6.74 -0.52 1.57 -1.91 -3.46 116.57 105.50 3mks h LYS 369 Ca 0.00 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3mks h LYS 369 Cb 0.29 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.67 3mks h LYS 369 CO 0.00 0.76 0.86 0.12 -0.57 0.00 0.00 179.45 180.63 3mks s PHE 370 N -2.66 2.89 -0.19 -1.35 2.19 -0.84 -5.00 117.98 113.03 3mks s PHE 370 Ca -0.02 0.78 0.01 0.00 0.33 0.00 0.00 56.93 58.03 3mks s PHE 370 Cb 0.09 -3.99 0.02 0.00 -1.31 0.00 0.00 43.02 37.84 3mks s PHE 370 CO 0.82 -3.39 -0.19 0.08 1.83 0.00 0.00 175.22 174.37 3mks s VAL 371 N 0.28 2.06 0.99 3.12 1.01 -1.26 -4.97 120.40 121.63 3mks s VAL 371 Ca 0.64 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 3mks s VAL 371 Cb -0.46 -1.89 0.18 0.00 0.00 0.00 0.00 36.38 34.21 3mks s VAL 371 CO 0.43 0.48 1.10 -2.16 0.00 0.00 0.00 175.10 174.95 3mks s PRO 372 N 1.28 0.48 0.04 2.72 0.04 -1.26 -4.99 135.00 133.31 3mks s PRO 372 Ca 0.04 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.25 3mks s PRO 372 Cb -0.14 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 3mks s PRO 372 CO -0.12 -2.68 0.82 -1.14 0.04 0.00 0.00 177.00 173.92 3mks s GLN 373 N -5.04 4.54 -0.16 4.56 0.74 -0.60 -4.84 119.66 118.86 3mks s GLN 373 Ca 0.65 1.17 -0.03 0.00 0.05 0.00 0.00 55.36 57.20 3mks s GLN 373 Cb -0.18 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.53 3mks s GLN 373 CO 0.57 0.22 -0.07 0.50 -0.55 0.00 0.00 175.29 175.96 3mks s ARG 374 N 0.14 3.51 -0.03 1.67 3.52 -1.26 -2.03 118.95 124.46 3mks s ARG 374 Ca 0.42 -0.60 0.07 0.00 -0.13 0.00 0.00 55.73 55.49 3mks s ARG 374 Cb -0.21 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.32 3mks s ARG 374 CO 0.24 0.13 -0.24 0.99 -0.81 0.00 0.00 175.30 175.61 3mks s THR 375 N 0.63 1.92 -0.09 4.11 2.01 0.37 -4.97 115.64 119.62 3mks s THR 375 Ca -0.04 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 60.98 3mks s THR 375 Cb -0.15 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 3mks s THR 375 CO 0.03 0.54 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.39 3mks s THR 376 N -0.39 2.28 -0.01 -0.82 2.01 -1.26 -0.56 115.64 116.89 3mks s THR 376 Ca 0.04 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.12 3mks s THR 376 Cb -0.11 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 3mks s THR 376 CO 0.01 0.56 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.62 3mks s LEU 377 N 0.11 2.01 0.13 4.42 1.43 -0.46 -4.96 118.68 121.37 3mks s LEU 377 Ca -0.11 -0.21 -0.35 0.00 -1.03 0.00 0.00 54.13 52.43 3mks s LEU 377 Cb -0.16 -0.61 -0.16 0.00 0.03 0.00 0.00 46.19 45.30 3mks s LEU 377 CO 0.06 0.14 1.40 0.54 0.23 0.00 0.00 176.35 178.72 3mks n ARG 378 N 2.81 1.52 0.00 1.70 1.74 -1.26 -0.21 116.66 122.95 3mks n ARG 378 Ca -0.14 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3mks n ARG 378 Cb 0.56 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 3mks n ARG 378 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mks n GLY 379 N 2.72 0.71 3.92 -0.13 0.00 -0.70 -4.58 105.19 107.13 3mks n GLY 379 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3mks n GLY 379 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mks s HIS 380 N 1.79 3.03 0.26 1.61 3.76 -1.26 -4.94 115.29 119.53 3mks s HIS 380 Ca 0.00 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.63 3mks s HIS 380 Cb 0.00 -1.86 0.37 0.00 1.11 0.00 0.00 32.58 32.20 3mks s HIS 380 CO 0.00 0.12 1.87 0.52 -0.85 0.00 0.00 174.74 176.41 3mks h MET 381 N 1.10 1.09 -6.59 1.40 2.86 -1.96 -3.41 114.93 109.41 3mks h MET 381 Ca -0.46 -0.07 -0.51 0.00 -2.06 0.00 0.00 59.70 56.61 3mks h MET 381 Cb 1.25 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 3mks h MET 381 CO 0.56 0.72 -0.06 -0.08 1.06 0.00 0.00 176.91 179.11 3mks s THR 382 N -6.05 4.95 -2.14 2.22 -1.32 -1.26 -4.97 115.64 107.07 3mks s THR 382 Ca -0.13 0.25 0.19 0.00 -1.21 0.00 0.00 61.69 60.79 3mks s THR 382 Cb 0.19 -3.73 0.47 0.00 -1.51 0.00 0.00 72.50 67.92 3mks s THR 382 CO 0.81 -0.37 1.43 -1.54 -2.21 0.00 0.00 174.62 172.73 3mks n SER 383 N -1.00 2.81 -3.95 8.08 3.41 -1.26 -4.53 113.62 117.17 3mks n SER 383 Ca -0.00 -1.95 -0.30 0.00 -0.26 0.00 0.00 58.87 56.36 3mks n SER 383 Cb 0.54 -0.30 -0.16 0.00 -0.26 0.00 0.00 64.21 64.03 3mks n SER 383 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3mks s VAL 384 N -1.40 1.47 0.17 -3.33 -7.23 -1.26 -4.45 120.40 104.37 3mks s VAL 384 Ca 0.36 -1.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.28 3mks s VAL 384 Cb 0.19 -1.64 -0.08 0.00 0.56 0.00 0.00 36.38 35.41 3mks s VAL 384 CO 0.26 0.06 0.79 -0.63 -0.31 0.00 0.00 175.10 175.28 3mks s ILE 385 N 1.45 4.33 -0.03 -0.62 -1.09 -1.26 -4.03 121.20 119.96 3mks s ILE 385 Ca -0.02 1.75 0.15 0.00 -2.23 0.00 0.00 60.65 60.29 3mks s ILE 385 Cb -0.17 -4.16 -0.23 0.00 -1.58 0.00 0.00 42.46 36.32 3mks s ILE 385 CO -0.07 0.52 0.31 0.35 -1.23 0.00 0.00 174.94 174.81 3mks n THR 386 N 1.58 0.08 -3.50 2.92 -2.24 -0.43 -4.91 114.28 107.77 3mks n THR 386 Ca -0.05 -0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.23 3mks n THR 386 Cb 0.48 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 3mks n THR 386 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mks s LEU 388 N -1.74 -0.16 -0.04 0.00 0.20 -1.26 -1.33 118.68 114.34 3mks s LEU 388 Ca -0.04 0.81 0.07 0.00 0.69 0.00 0.00 54.13 55.66 3mks s LEU 388 Cb -0.00 1.15 -0.02 0.00 -0.43 0.00 0.00 46.19 46.89 3mks s LEU 388 CO 0.00 -0.20 -0.25 -1.10 -0.29 0.00 0.00 176.35 174.51 3mks s GLN 389 N 1.80 2.35 -0.26 1.98 -1.52 0.86 -5.00 119.66 119.88 3mks s GLN 389 Ca -0.06 -0.90 -0.01 0.00 -1.95 0.00 0.00 55.36 52.44 3mks s GLN 389 Cb -0.10 -2.13 0.08 0.00 -0.22 0.00 0.00 33.01 30.64 3mks s GLN 389 CO -0.11 0.48 0.06 0.12 -0.25 0.00 0.00 175.29 175.58 3mks s PHE 390 N -0.41 1.54 -0.22 0.91 5.36 -1.26 -0.67 117.98 123.23 3mks s PHE 390 Ca 0.04 -1.43 -0.18 0.00 -0.96 0.00 0.00 56.93 54.39 3mks s PHE 390 Cb -0.12 -1.46 0.06 0.00 -0.34 0.00 0.00 43.02 41.17 3mks s PHE 390 CO 0.01 -0.78 0.58 -1.21 -1.46 0.00 0.00 175.22 172.37 3mks s GLU 391 N 1.68 0.65 -1.45 10.12 0.41 -0.29 -4.95 118.70 124.87 3mks s GLU 391 Ca 0.04 0.89 -0.02 0.00 -0.41 0.00 0.00 54.97 55.47 3mks s GLU 391 Cb -0.17 0.25 0.02 0.00 -1.78 0.00 0.00 34.13 32.45 3mks s GLU 391 CO -0.17 -0.10 0.47 -0.25 -0.49 0.00 0.00 175.26 174.71 3mks n ASP 392 N 3.24 -0.73 -0.41 -0.19 8.00 -1.26 -0.50 116.55 124.69 3mks n ASP 392 Ca -0.16 -1.01 -0.05 0.00 0.71 0.00 0.00 54.79 54.28 3mks n ASP 392 Cb 0.56 -3.02 -0.02 0.00 -0.02 0.00 0.00 41.12 38.62 3mks n ASP 392 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mks n ASN 393 N -2.95 -4.73 -4.36 -2.24 3.02 -1.26 -4.96 115.26 97.78 3mks n ASN 393 Ca -0.26 0.13 -0.32 0.00 -0.03 0.00 0.00 54.58 54.10 3mks n ASN 393 Cb 0.66 -2.70 -0.15 0.00 -0.61 0.00 0.00 39.78 36.98 3mks n ASN 393 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3mks s TYR 394 N -1.84 2.61 -0.16 3.10 2.02 0.34 -1.05 117.35 122.37 3mks s TYR 394 Ca 0.00 -0.50 -0.00 0.00 -0.37 0.00 0.00 57.07 56.19 3mks s TYR 394 Cb 0.00 -1.66 -0.00 0.00 -0.40 0.00 0.00 41.96 39.89 3mks s TYR 394 CO 0.00 -0.07 -0.13 0.08 -1.57 0.00 0.00 175.55 173.85 3mks s VAL 395 N -0.25 2.80 -0.06 0.71 1.01 0.58 -1.14 120.40 124.06 3mks s VAL 395 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3mks s VAL 395 Cb -0.13 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3mks s VAL 395 CO 0.03 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 174.79 3mks s ILE 396 N 0.88 1.77 0.07 2.22 1.01 0.15 0.73 121.20 128.04 3mks s ILE 396 Ca -0.04 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3mks s ILE 396 Cb -0.15 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3mks s ILE 396 CO -0.01 0.50 -0.14 0.42 0.00 0.00 0.00 174.94 175.71 3mks s THR 397 N 0.08 1.12 0.19 2.92 -4.23 -0.92 -0.10 115.64 114.71 3mks s THR 397 Ca -0.08 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 3mks s THR 397 Cb -0.14 -1.07 -0.05 0.00 1.34 0.00 0.00 72.50 72.58 3mks s THR 397 CO 0.04 -0.20 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.05 3mks s GLY 398 N -1.69 1.32 0.27 3.99 0.00 -0.44 -1.13 107.32 109.64 3mks s GLY 398 Ca -0.02 -1.63 -0.12 0.00 0.00 0.00 0.00 44.72 42.95 3mks s GLY 398 CO 0.02 -1.62 0.61 0.00 0.00 0.00 0.00 173.10 172.12 3mks n ALA 399 N -0.31 -1.42 0.81 3.20 0.00 -1.18 -1.31 120.51 120.31 3mks n ALA 399 Ca -0.07 -0.92 0.08 0.00 0.00 0.00 0.00 53.44 52.53 3mks n ALA 399 Cb 0.63 0.71 0.42 0.00 0.00 0.00 0.00 19.45 21.20 3mks n ALA 399 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mks n ASP 400 N -1.36 0.00 -0.58 0.00 9.92 -1.26 -1.59 116.55 121.68 3mks n ASP 400 Ca -0.06 -0.02 0.10 0.00 -0.53 0.00 0.00 54.79 54.28 3mks n ASP 400 Cb 0.44 -0.25 0.35 0.00 -0.64 0.00 0.00 41.12 41.02 3mks n ASP 400 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3mks n ASP 401 N -1.25 1.74 0.00 -2.24 5.75 -1.26 -4.47 116.55 114.82 3mks n ASP 401 Ca 0.08 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 3mks n ASP 401 Cb 0.12 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3mks n ASP 401 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mks n LYS 402 N 0.38 0.00 -4.71 0.11 5.02 -1.11 -4.99 118.16 112.86 3mks n LYS 402 Ca 0.16 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.22 3mks n LYS 402 Cb 0.34 -2.92 -0.14 0.00 -0.02 0.00 0.00 35.03 32.29 3mks n LYS 402 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3mks s MET 403 N -0.34 1.83 -0.10 1.97 -1.94 -1.26 -4.10 119.30 115.36 3mks s MET 403 Ca 0.00 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 52.87 3mks s MET 403 Cb 0.00 -2.04 -0.02 0.00 2.01 0.00 0.00 34.83 34.77 3mks s MET 403 CO 0.00 0.51 -0.11 0.42 -0.01 0.00 0.00 175.02 175.83 3mks s ILE 404 N -0.91 3.32 -0.15 2.53 1.01 -0.80 -3.08 121.20 123.12 3mks s ILE 404 Ca 0.13 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3mks s ILE 404 Cb -0.10 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.01 3mks s ILE 404 CO 0.04 0.55 -0.21 -0.13 0.00 0.00 0.00 174.94 175.20 3mks s ARG 405 N -0.17 3.04 -0.23 2.79 1.81 -0.28 -0.24 118.95 125.67 3mks s ARG 405 Ca 0.01 -0.84 -0.08 0.00 -1.72 0.00 0.00 55.73 53.10 3mks s ARG 405 Cb -0.13 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.84 3mks s ARG 405 CO 0.03 -0.06 0.09 0.08 -0.68 0.00 0.00 175.30 174.76 3mks s VAL 406 N 0.94 4.63 0.21 3.52 1.01 0.35 -2.16 120.40 128.90 3mks s VAL 406 Ca -0.04 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 61.97 3mks s VAL 406 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3mks s VAL 406 CO -0.04 0.36 -0.14 -0.31 0.00 0.00 0.00 175.10 174.96 3mks s TYR 407 N 1.27 2.49 -0.24 5.22 1.51 0.22 0.13 117.35 127.94 3mks s TYR 407 Ca 0.05 -0.28 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 3mks s TYR 407 Cb -0.15 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 3mks s TYR 407 CO 0.04 0.56 0.10 0.34 -1.11 0.00 0.00 175.55 175.48 3mks s ASP 408 N -3.02 5.46 0.24 2.29 2.15 0.13 -0.30 116.67 123.61 3mks s ASP 408 Ca 0.25 -0.10 0.23 0.00 0.43 0.00 0.00 52.55 53.37 3mks s ASP 408 Cb -0.08 -1.98 0.20 0.00 -0.30 0.00 0.00 42.92 40.76 3mks s ASP 408 CO 0.14 0.00 1.27 0.77 -0.17 0.00 0.00 175.17 177.18 3mks h SER 409 N 7.98 0.00 0.08 -0.34 4.64 -1.38 0.13 113.55 124.65 3mks h SER 409 Ca -0.37 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3mks h SER 409 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3mks h SER 409 CO 0.59 0.03 -0.04 0.40 -0.87 0.00 0.00 176.83 176.94 3mks h ILE 410 N 0.00 0.00 0.00 0.95 2.04 -1.96 -3.34 117.51 115.20 3mks h ILE 410 Ca 0.00 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3mks h ILE 410 Cb 0.93 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3mks h ILE 410 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.74 3mks n ASN 411 N -3.58 0.00 -3.57 1.72 5.03 -1.26 -4.88 115.26 108.73 3mks n ASN 411 Ca -0.01 -0.20 -0.24 0.00 0.87 0.00 0.00 54.58 55.00 3mks n ASN 411 Cb 0.04 -0.22 0.05 0.00 -1.02 0.00 0.00 39.78 38.63 3mks n ASN 411 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3mks n LYS 412 N -1.22 -2.65 -4.00 3.52 5.02 -0.13 -5.00 118.16 113.69 3mks n LYS 412 Ca 0.12 0.62 -0.08 0.00 -2.02 0.00 0.00 58.31 56.95 3mks n LYS 412 Cb 0.15 -4.92 -0.10 0.00 -0.02 0.00 0.00 35.03 30.15 3mks n LYS 412 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3mks s LYS 413 N -5.54 0.55 -0.10 1.97 -2.85 -0.24 -4.97 119.74 108.56 3mks s LYS 413 Ca 0.32 -0.93 -0.29 0.00 -1.00 0.00 0.00 55.97 54.06 3mks s LYS 413 Cb -0.09 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 3mks s LYS 413 CO 0.81 -0.12 1.54 0.12 0.10 0.00 0.00 175.35 177.80 3mks s PHE 414 N -3.00 2.24 -0.13 1.78 5.36 -1.26 0.22 117.98 123.19 3mks s PHE 414 Ca -0.02 0.45 -0.10 0.00 -0.96 0.00 0.00 56.93 56.31 3mks s PHE 414 Cb 0.01 -3.80 -0.07 0.00 -0.34 0.00 0.00 43.02 38.82 3mks s PHE 414 CO -0.07 -3.17 0.11 -0.07 -1.46 0.00 0.00 175.22 170.57 3mks h LEU 415 N 10.17 0.00 -7.00 6.12 3.38 -0.63 -3.46 115.31 123.89 3mks h LEU 415 Ca -0.35 -0.23 0.22 0.00 0.09 0.00 0.00 57.88 57.61 3mks h LEU 415 Cb 1.15 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.64 3mks h LEU 415 CO 0.96 0.76 0.88 -1.48 0.09 0.00 0.00 178.44 179.65 3mks s LEU 416 N -8.34 -0.10 -0.13 1.67 0.05 -0.32 -4.99 118.68 106.52 3mks s LEU 416 Ca -0.10 0.10 -0.19 0.00 0.05 0.00 0.00 54.13 53.99 3mks s LEU 416 Cb 0.01 1.23 -0.04 0.00 -2.05 0.00 0.00 46.19 45.33 3mks s LEU 416 CO 0.24 -0.09 0.51 -1.58 -0.55 0.00 0.00 176.35 174.88 3mks s GLN 417 N -1.08 4.32 -0.34 1.48 0.74 -1.26 -0.50 119.66 123.02 3mks s GLN 417 Ca 0.07 0.49 -0.11 0.00 0.05 0.00 0.00 55.36 55.87 3mks s GLN 417 Cb -0.01 -3.46 0.01 0.00 1.10 0.00 0.00 33.01 30.64 3mks s GLN 417 CO -0.06 0.08 0.19 -0.51 -0.55 0.00 0.00 175.29 174.43 3mks s LEU 418 N 0.87 4.42 0.35 3.68 1.43 0.67 -4.98 118.68 125.12 3mks s LEU 418 Ca 0.27 -0.72 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 3mks s LEU 418 Cb -0.15 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 3mks s LEU 418 CO 0.11 -0.29 0.00 -0.94 0.23 0.00 0.00 176.35 175.47 3mks s SER 419 N 1.60 4.10 0.00 2.29 1.04 -1.26 -1.91 113.70 119.56 3mks s SER 419 Ca 0.04 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.42 3mks s SER 419 Cb -0.18 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.45 3mks s SER 419 CO 0.07 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3mks n GLY 420 N -0.94 2.64 3.71 7.32 0.00 -1.26 -4.85 105.19 111.82 3mks n GLY 420 Ca -0.04 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3mks n GLY 420 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mks n HIS 421 N 0.00 2.41 1.40 1.61 8.25 -1.26 -4.89 115.22 122.73 3mks n HIS 421 Ca 0.00 0.53 0.14 0.00 -0.26 0.00 0.00 57.72 58.13 3mks n HIS 421 Cb 0.00 -2.44 0.45 0.00 1.12 0.00 0.00 29.99 29.12 3mks n HIS 421 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3mks n ASP 422 N 0.71 1.59 -0.99 0.41 8.00 -1.26 -4.89 116.55 120.11 3mks n ASP 422 Ca 0.04 -1.45 0.00 0.00 0.71 0.00 0.00 54.79 54.09 3mks n ASP 422 Cb 0.37 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 3mks n ASP 422 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mks n GLY 423 N 1.22 4.04 3.79 0.44 0.00 -1.26 -4.82 105.19 108.60 3mks n GLY 423 Ca 0.17 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 3mks n GLY 423 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mks s GLY 424 N -0.99 2.38 -0.19 -0.02 0.00 -1.26 -4.05 107.32 103.19 3mks s GLY 424 Ca 0.00 0.59 -0.20 0.00 0.00 0.00 0.00 44.72 45.11 3mks s GLY 424 CO 0.00 0.93 0.60 0.14 0.00 0.00 0.00 173.10 174.77 3mks s VAL 425 N -2.12 5.05 -0.06 1.40 1.01 -0.62 -1.19 120.40 123.87 3mks s VAL 425 Ca 0.68 1.13 0.16 0.00 0.00 0.00 0.00 61.98 63.94 3mks s VAL 425 Cb -0.19 -3.92 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 3mks s VAL 425 CO 0.30 0.14 0.28 0.79 0.00 0.00 0.00 175.10 176.61 3mks n TRP 426 N 4.88 0.00 -3.64 5.22 5.03 -0.56 -4.24 117.44 124.13 3mks n TRP 426 Ca -0.02 0.00 -0.15 0.00 3.03 0.00 0.00 57.50 60.35 3mks n TRP 426 Cb 0.50 -0.50 -0.08 0.00 -1.03 0.00 0.00 31.31 30.20 3mks n TRP 426 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3mks s ALA 427 N -2.94 -1.39 -0.14 6.99 0.00 -1.11 -4.81 121.76 118.36 3mks s ALA 427 Ca -0.07 1.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 3mks s ALA 427 Cb 0.09 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.89 3mks s ALA 427 CO 0.69 -0.30 0.41 -0.48 0.00 0.00 0.00 175.76 176.08 3mks s LEU 428 N -0.62 0.42 -0.05 0.00 0.05 -1.26 -0.33 118.68 116.90 3mks s LEU 428 Ca -0.07 0.75 0.01 0.00 0.05 0.00 0.00 54.13 54.86 3mks s LEU 428 Cb -0.03 1.45 0.02 0.00 -2.05 0.00 0.00 46.19 45.58 3mks s LEU 428 CO 0.05 -0.20 -0.04 -0.75 -0.55 0.00 0.00 176.35 174.87 3mks s LYS 429 N -0.01 0.79 0.13 1.48 2.47 0.13 -4.88 119.74 119.86 3mks s LYS 429 Ca -0.02 -0.06 -0.21 0.00 -1.56 0.00 0.00 55.97 54.12 3mks s LYS 429 Cb -0.03 -0.88 -0.07 0.00 -1.46 0.00 0.00 37.83 35.39 3mks s LYS 429 CO 0.01 -0.13 0.65 -0.47 0.16 0.00 0.00 175.35 175.57 3mks s TYR 430 N 1.15 3.80 0.07 4.03 6.14 -1.26 -0.75 117.35 130.52 3mks s TYR 430 Ca -0.07 1.38 0.09 0.00 0.64 0.00 0.00 57.07 59.10 3mks s TYR 430 Cb -0.14 -2.58 -0.03 0.00 0.42 0.00 0.00 41.96 39.63 3mks s TYR 430 CO -0.01 0.52 -0.25 0.00 0.64 0.00 0.00 175.55 176.45 3mks s ALA 431 N -1.22 2.11 0.15 3.97 0.00 0.68 -4.98 121.76 122.48 3mks s ALA 431 Ca 0.34 -1.25 -0.32 0.00 0.00 0.00 0.00 51.96 50.72 3mks s ALA 431 Cb -0.20 -0.40 -0.17 0.00 0.00 0.00 0.00 23.12 22.35 3mks s ALA 431 CO 0.21 0.48 0.94 1.58 0.00 0.00 0.00 175.76 178.97 3mks n HIS 432 N 1.56 0.62 0.00 0.00 -0.00 -1.26 -2.59 115.22 113.55 3mks n HIS 432 Ca -0.17 0.85 0.00 0.00 0.46 0.00 0.00 57.72 58.86 3mks n HIS 432 Cb 0.53 -2.14 0.00 0.00 -0.12 0.00 0.00 29.99 28.26 3mks n HIS 432 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3mks n GLY 433 N 1.82 1.41 2.20 1.57 0.00 -1.26 -4.42 105.19 106.52 3mks n GLY 433 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 3mks n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mks n GLY 434 N -1.42 0.27 3.70 -0.02 0.00 -1.24 -4.89 105.19 101.59 3mks n GLY 434 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3mks n GLY 434 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mks s ILE 435 N -2.43 4.46 0.03 -0.61 1.01 -1.07 -0.61 121.20 121.99 3mks s ILE 435 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.51 3mks s ILE 435 Cb 0.00 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 3mks s ILE 435 CO 0.00 0.60 -0.13 -0.22 0.00 0.00 0.00 174.94 175.19 3mks s LEU 436 N -0.82 2.15 -0.06 2.97 2.96 -0.75 -0.23 118.68 124.90 3mks s LEU 436 Ca 0.13 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3mks s LEU 436 Cb -0.12 -0.55 -0.00 0.00 0.50 0.00 0.00 46.19 46.02 3mks s LEU 436 CO 0.02 0.03 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 3mks s VAL 437 N -0.76 1.51 0.22 1.68 1.01 0.07 0.75 120.40 124.88 3mks s VAL 437 Ca 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3mks s VAL 437 Cb -0.07 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3mks s VAL 437 CO 0.01 0.43 -0.11 -0.94 0.00 0.00 0.00 175.10 174.49 3mks s SER 438 N 0.17 2.51 0.05 3.32 1.04 0.15 0.22 113.70 121.16 3mks s SER 438 Ca -0.08 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.32 3mks s SER 438 Cb -0.13 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3mks s SER 438 CO 0.03 -0.25 -0.13 -0.83 0.98 0.00 0.00 173.24 173.04 3mks s GLY 439 N -3.34 0.75 0.08 7.32 0.00 0.56 -0.34 107.32 112.33 3mks s GLY 439 Ca 0.24 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 3mks s GLY 439 CO 0.08 -0.86 0.02 -0.45 0.00 0.00 0.00 173.10 171.89 3mks s SER 440 N -1.40 0.39 0.21 1.64 0.15 -1.17 -1.50 113.70 112.03 3mks s SER 440 Ca -0.02 -1.01 0.14 0.00 0.70 0.00 0.00 55.95 55.76 3mks s SER 440 Cb -0.09 0.25 0.75 0.00 -1.71 0.00 0.00 66.02 65.22 3mks s SER 440 CO 0.01 -0.65 1.42 0.35 1.20 0.00 0.00 173.24 175.58 3mks n THR 441 N 0.03 1.38 1.92 6.45 -2.24 -0.33 -1.50 114.28 120.00 3mks n THR 441 Ca -0.12 0.65 0.08 0.00 -2.27 0.00 0.00 64.05 62.40 3mks n THR 441 Cb 0.62 -1.65 0.49 0.00 -2.10 0.00 0.00 70.33 67.69 3mks n THR 441 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mks n ASP 442 N -1.98 0.00 -0.84 3.42 5.68 -1.26 -4.47 116.55 117.09 3mks n ASP 442 Ca -0.01 -1.40 -0.11 0.00 -0.50 0.00 0.00 54.79 52.77 3mks n ASP 442 Cb 0.02 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.96 3mks n ASP 442 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3mks n ARG 443 N -0.77 -1.54 -3.67 0.11 1.85 -0.85 -4.95 116.66 106.83 3mks n ARG 443 Ca 0.12 0.87 -0.24 0.00 -1.00 0.00 0.00 57.85 57.60 3mks n ARG 443 Cb 0.06 -5.20 -0.02 0.00 -1.05 0.00 0.00 32.46 26.24 3mks n ARG 443 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3mks s THR 444 N -2.02 5.19 -0.17 8.89 -4.23 -1.26 -4.12 115.64 117.92 3mks s THR 444 Ca 0.00 -0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.89 3mks s THR 444 Cb 0.00 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 3mks s THR 444 CO 0.00 -0.36 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.95 3mks s VAL 445 N -2.06 3.27 0.05 2.29 1.01 -1.01 -3.02 120.40 120.93 3mks s VAL 445 Ca 0.38 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3mks s VAL 445 Cb -0.10 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3mks s VAL 445 CO 0.32 0.48 -0.23 -0.13 0.00 0.00 0.00 175.10 175.53 3mks s ARG 446 N 0.87 1.57 -0.13 2.72 0.52 0.53 -1.17 118.95 123.86 3mks s ARG 446 Ca -0.02 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 3mks s ARG 446 Cb -0.15 -1.72 -0.01 0.00 0.52 0.00 0.00 34.95 33.59 3mks s ARG 446 CO 0.01 0.44 -0.14 0.08 0.02 0.00 0.00 175.30 175.71 3mks s VAL 447 N -0.81 2.89 0.17 3.52 1.01 -0.84 0.33 120.40 126.67 3mks s VAL 447 Ca 0.09 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.47 3mks s VAL 447 Cb -0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3mks s VAL 447 CO 0.02 0.52 -0.24 0.26 0.00 0.00 0.00 175.10 175.66 3mks s TRP 448 N 0.44 2.32 -0.24 5.22 0.52 0.23 -1.22 118.94 126.21 3mks s TRP 448 Ca -0.11 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 55.61 3mks s TRP 448 Cb -0.16 -1.18 -0.00 0.00 -1.15 0.00 0.00 33.47 30.98 3mks s TRP 448 CO 0.05 0.45 -0.02 0.34 0.02 0.00 0.00 176.95 177.80 3mks s ASP 449 N -2.50 4.48 0.01 2.95 3.68 -0.77 -1.81 116.67 122.71 3mks s ASP 449 Ca 0.19 -0.50 -0.23 0.00 2.13 0.00 0.00 52.55 54.14 3mks s ASP 449 Cb -0.09 -1.76 -0.18 0.00 -1.45 0.00 0.00 42.92 39.44 3mks s ASP 449 CO 0.09 -0.06 1.30 0.40 0.13 0.00 0.00 175.17 177.03 3mks h ILE 450 N 5.78 1.37 0.09 4.11 2.04 -1.16 0.66 117.51 130.40 3mks h ILE 450 Ca -0.39 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3mks h ILE 450 Cb 1.15 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 3mks h ILE 450 CO 0.60 0.33 -0.08 0.11 0.00 0.00 0.00 178.15 179.11 3mks h LYS 451 N -0.28 -0.18 0.00 2.37 1.57 -1.91 -0.95 116.57 117.19 3mks h LYS 451 Ca 0.01 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3mks h LYS 451 Cb 0.56 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3mks h LYS 451 CO 0.02 -0.12 -0.19 0.87 -0.57 0.00 0.00 179.45 179.46 3mks h LYS 452 N -0.18 0.00 -1.52 3.15 1.57 -1.94 -3.48 116.57 114.17 3mks h LYS 452 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3mks h LYS 452 Cb 0.17 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.50 3mks h LYS 452 CO -0.02 0.19 -0.12 0.41 -0.57 0.00 0.00 179.45 179.34 3mks n GLY 453 N -0.32 0.54 3.46 3.86 0.00 0.23 -5.05 105.19 107.90 3mks n GLY 453 Ca -0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3mks n GLY 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mks h THR 456 N 5.15 0.95 -3.78 0.00 1.35 -1.50 -3.29 112.91 111.79 3mks h THR 456 Ca -0.37 -2.33 -0.32 0.00 -0.55 0.00 0.00 66.41 62.84 3mks h THR 456 Cb 1.17 2.57 -0.30 0.00 -1.73 0.00 0.00 68.15 69.87 3mks h THR 456 CO 0.93 0.64 -0.75 -1.00 -0.25 0.00 0.00 175.52 175.09 3mks s HIS 457 N -2.45 0.39 -0.16 4.73 3.76 -1.17 -0.70 115.29 119.68 3mks s HIS 457 Ca -0.23 -0.07 -0.03 0.00 -0.15 0.00 0.00 55.06 54.58 3mks s HIS 457 Cb 0.05 -0.30 -0.02 0.00 1.11 0.00 0.00 32.58 33.42 3mks s HIS 457 CO 0.72 -0.04 -0.05 0.08 -0.85 0.00 0.00 174.74 174.60 3mks s VAL 458 N 0.15 3.73 -0.37 -0.90 1.01 0.09 -1.99 120.40 122.12 3mks s VAL 458 Ca -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3mks s VAL 458 Cb -0.05 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.80 3mks s VAL 458 CO -0.00 0.48 0.11 -0.36 0.00 0.00 0.00 175.10 175.33 3mks s PHE 459 N 0.52 3.70 0.54 5.22 2.99 -0.32 -1.00 117.98 129.63 3mks s PHE 459 Ca -0.04 -2.78 -0.13 0.00 0.00 0.00 0.00 56.93 53.98 3mks s PHE 459 Cb -0.15 -3.04 -0.06 0.00 0.00 0.00 0.00 43.02 39.77 3mks s PHE 459 CO 0.03 -0.96 0.96 -1.21 -0.00 0.00 0.00 175.22 174.04 3mks s GLU 460 N 0.99 3.76 0.00 0.44 2.02 -0.49 -2.40 118.70 123.02 3mks s GLU 460 Ca 0.10 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.85 3mks s GLU 460 Cb -0.20 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.86 3mks s GLU 460 CO -0.07 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.27 3mks n GLY 461 N -2.07 1.03 3.77 -1.39 0.00 -1.26 -4.41 105.19 100.86 3mks n GLY 461 Ca 0.05 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3mks n GLY 461 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mks s HIS 462 N 0.00 2.91 -2.15 1.61 3.76 -1.26 -4.91 115.29 115.24 3mks s HIS 462 Ca 0.00 1.55 0.20 0.00 -0.15 0.00 0.00 55.06 56.66 3mks s HIS 462 Cb 0.00 -3.34 0.33 0.00 1.11 0.00 0.00 32.58 30.69 3mks s HIS 462 CO 0.00 -1.40 1.28 0.09 -0.85 0.00 0.00 174.74 173.86 3mks n ASN 463 N -0.52 3.11 -3.50 1.40 5.03 -1.26 -4.91 115.26 114.61 3mks n ASN 463 Ca 0.07 -1.91 -0.09 0.00 0.87 0.00 0.00 54.58 53.53 3mks n ASN 463 Cb 0.49 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 39.05 3mks n ASN 463 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3mks s SER 464 N -1.38 -0.01 0.09 6.41 0.15 -1.26 -4.92 113.70 112.77 3mks s SER 464 Ca 0.32 -0.95 -0.35 0.00 0.70 0.00 0.00 55.95 55.67 3mks s SER 464 Cb 0.19 0.74 -0.18 0.00 -1.71 0.00 0.00 66.02 65.06 3mks s SER 464 CO 0.27 -1.42 0.98 0.41 1.20 0.00 0.00 173.24 174.67 3mks n THR 465 N -0.48 0.65 -2.71 6.45 -1.04 -1.26 -4.47 114.28 111.41 3mks n THR 465 Ca -0.05 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 3mks n THR 465 Cb 0.60 -0.23 -0.03 0.00 -1.82 0.00 0.00 70.33 68.85 3mks n THR 465 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3mks s VAL 466 N -0.24 4.42 -0.12 12.58 1.01 -0.56 -0.80 120.40 136.69 3mks s VAL 466 Ca 0.81 1.20 0.17 0.00 0.00 0.00 0.00 61.98 64.15 3mks s VAL 466 Cb -1.08 -4.46 -0.22 0.00 0.00 0.00 0.00 36.38 30.62 3mks s VAL 466 CO 0.55 -0.75 0.49 -1.14 0.00 0.00 0.00 175.10 174.25 3mks n ARG 467 N 7.23 0.65 -3.79 2.72 3.00 -0.02 -3.79 116.66 122.66 3mks n ARG 467 Ca 0.09 0.11 -0.09 0.00 -0.00 0.00 0.00 57.85 57.96 3mks n ARG 467 Cb 0.48 -1.67 -0.03 0.00 0.00 0.00 0.00 32.46 31.24 3mks n ARG 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mks s LEU 469 N -2.90 -0.27 0.23 0.00 0.05 -1.26 -1.17 118.68 113.36 3mks s LEU 469 Ca 0.11 0.16 -0.08 0.00 0.05 0.00 0.00 54.13 54.37 3mks s LEU 469 Cb -0.03 1.70 -0.02 0.00 -2.05 0.00 0.00 46.19 45.79 3mks s LEU 469 CO 0.02 -0.35 0.33 -0.62 -0.55 0.00 0.00 176.35 175.18 3mks s ASP 470 N -1.72 0.02 -0.05 1.48 -1.08 0.34 -4.87 116.67 110.79 3mks s ASP 470 Ca 0.04 -1.13 0.02 0.00 -0.52 0.00 0.00 52.55 50.96 3mks s ASP 470 Cb -0.01 0.50 0.01 0.00 -1.46 0.00 0.00 42.92 41.97 3mks s ASP 470 CO -0.04 -1.01 -0.09 -0.63 0.52 0.00 0.00 175.17 173.92 3mks s ILE 471 N -4.07 0.84 0.23 4.11 1.01 -1.26 -1.71 121.20 120.35 3mks s ILE 471 Ca 0.30 -0.32 0.10 0.00 0.00 0.00 0.00 60.65 60.72 3mks s ILE 471 Cb 0.03 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 3mks s ILE 471 CO 0.10 0.28 -0.17 0.68 0.00 0.00 0.00 174.94 175.84 3mks s VAL 472 N 0.65 2.06 -0.12 2.92 -7.23 0.61 -4.92 120.40 114.37 3mks s VAL 472 Ca -0.11 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 57.79 3mks s VAL 472 Cb -0.14 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.68 3mks s VAL 472 CO 0.02 -0.49 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.50 3mks s GLU 473 N -3.52 1.99 -0.02 4.82 2.12 -1.26 -0.07 118.70 122.76 3mks s GLU 473 Ca 0.25 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.16 3mks s GLU 473 Cb -0.03 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.52 3mks s GLU 473 CO 0.10 -0.19 -0.08 -0.47 -0.54 0.00 0.00 175.26 174.08 3mks s TYR 474 N 1.40 0.84 -1.66 5.30 5.04 0.57 -4.04 117.35 124.81 3mks s TYR 474 Ca 0.01 -0.20 -0.12 0.00 -2.44 0.00 0.00 57.07 54.32 3mks s TYR 474 Cb -0.13 -0.60 0.12 0.00 0.35 0.00 0.00 41.96 41.70 3mks s TYR 474 CO -0.07 -0.08 0.30 1.63 -1.34 0.00 0.00 175.55 175.99 3mks n LYS 475 N 3.26 -0.83 -1.15 4.97 5.02 -1.26 -0.52 118.16 127.66 3mks n LYS 475 Ca -0.18 0.11 -0.05 0.00 -2.02 0.00 0.00 58.31 56.17 3mks n LYS 475 Cb 0.55 -4.00 -0.02 0.00 -0.02 0.00 0.00 35.03 31.53 3mks n LYS 475 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3mks n ASN 476 N -2.52 -4.11 -4.37 4.39 5.15 -1.26 -4.99 115.26 107.55 3mks n ASN 476 Ca -0.09 0.13 -0.32 0.00 -0.60 0.00 0.00 54.58 53.70 3mks n ASN 476 Cb 0.54 -2.07 -0.15 0.00 -0.53 0.00 0.00 39.78 37.58 3mks n ASN 476 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3mks s ILE 477 N -2.03 2.42 -0.17 -1.44 1.01 0.32 -5.13 121.20 116.19 3mks s ILE 477 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 3mks s ILE 477 Cb 0.00 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 3mks s ILE 477 CO 0.00 0.58 0.15 -0.54 0.00 0.00 0.00 174.94 175.13 3mks s LYS 478 N -0.62 3.98 -0.02 2.79 1.02 -1.26 -0.31 119.74 125.31 3mks s LYS 478 Ca 0.10 -0.16 0.05 0.00 0.02 0.00 0.00 55.97 55.97 3mks s LYS 478 Cb -0.10 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.84 3mks s LYS 478 CO -0.00 0.44 -0.17 0.71 -0.92 0.00 0.00 175.35 175.41 3mks s TYR 479 N -0.05 1.58 -0.21 3.18 2.02 0.91 -0.87 117.35 123.90 3mks s TYR 479 Ca 0.11 -0.36 -0.22 0.00 -0.37 0.00 0.00 57.07 56.23 3mks s TYR 479 Cb -0.12 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.39 3mks s TYR 479 CO 0.00 -0.08 0.70 0.42 -1.57 0.00 0.00 175.55 175.03 3mks s ILE 480 N -0.23 4.95 -0.25 2.71 1.01 0.48 -0.28 121.20 129.59 3mks s ILE 480 Ca 0.03 1.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 3mks s ILE 480 Cb -0.08 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3mks s ILE 480 CO 0.00 0.04 -0.00 -0.69 0.00 0.00 0.00 174.94 174.29 3mks s VAL 481 N 2.26 3.50 -0.12 2.92 1.01 -0.70 -0.31 120.40 128.96 3mks s VAL 481 Ca 0.31 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3mks s VAL 481 Cb -0.16 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 3mks s VAL 481 CO 0.10 0.27 -0.18 0.42 0.00 0.00 0.00 175.10 175.70 3mks s THR 482 N 1.46 2.52 0.01 3.92 -4.23 -0.75 -0.50 115.64 118.06 3mks s THR 482 Ca 0.04 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3mks s THR 482 Cb -0.16 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 3mks s THR 482 CO -0.01 0.54 0.08 -0.83 -0.54 0.00 0.00 174.62 173.86 3mks s GLY 483 N 0.46 2.01 0.13 3.99 0.00 -0.32 -1.40 107.32 112.20 3mks s GLY 483 Ca -0.13 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.74 3mks s GLY 483 CO 0.06 -0.78 -0.10 -0.45 0.00 0.00 0.00 173.10 171.83 3mks s SER 484 N -1.82 1.61 0.00 1.64 0.15 -1.02 -0.84 113.70 113.43 3mks s SER 484 Ca 0.24 -0.95 0.07 0.00 0.70 0.00 0.00 55.95 56.00 3mks s SER 484 Cb -0.12 0.01 0.32 0.00 -1.71 0.00 0.00 66.02 64.51 3mks s SER 484 CO 0.15 -0.33 1.11 0.54 1.20 0.00 0.00 173.24 175.91 3mks n ARG 485 N 0.04 0.06 0.00 5.44 1.74 0.02 -1.26 116.66 122.71 3mks n ARG 485 Ca -0.12 0.28 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 3mks n ARG 485 Cb 0.60 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 31.23 3mks n ARG 485 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3mks n ASP 486 N -1.35 0.00 0.00 0.55 5.68 -1.26 -4.33 116.55 115.84 3mks n ASP 486 Ca 0.03 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.20 3mks n ASP 486 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3mks n ASP 486 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3mks n ASN 487 N -0.89 0.00 -4.85 -1.12 5.03 -1.08 -4.94 115.26 107.41 3mks n ASN 487 Ca 0.17 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.41 3mks n ASN 487 Cb 0.08 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.80 3mks n ASN 487 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3mks s THR 488 N -2.67 3.64 0.25 3.41 -4.23 -1.26 -4.21 115.64 110.57 3mks s THR 488 Ca 0.00 -1.38 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3mks s THR 488 Cb 0.00 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 3mks s THR 488 CO 0.00 -0.20 0.13 -0.76 -0.54 0.00 0.00 174.62 173.25 3mks s LEU 489 N -3.97 3.60 0.00 4.79 1.02 -0.62 -2.42 118.68 121.08 3mks s LEU 489 Ca 0.40 -0.38 0.06 0.00 0.02 0.00 0.00 54.13 54.22 3mks s LEU 489 Cb -0.06 -2.13 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 3mks s LEU 489 CO 0.26 -0.02 -0.19 -1.00 0.02 0.00 0.00 176.35 175.42 3mks s HIS 490 N -2.19 1.67 -0.12 0.29 3.76 -0.49 0.22 115.29 118.43 3mks s HIS 490 Ca 0.32 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 3mks s HIS 490 Cb -0.07 -1.05 -0.03 0.00 1.11 0.00 0.00 32.58 32.54 3mks s HIS 490 CO 0.23 0.00 -0.07 0.08 -0.85 0.00 0.00 174.74 174.14 3mks s VAL 491 N -0.55 3.65 0.13 -0.90 1.01 -0.39 -1.82 120.40 121.54 3mks s VAL 491 Ca 0.07 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3mks s VAL 491 Cb -0.08 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3mks s VAL 491 CO -0.00 0.53 -0.13 0.26 0.00 0.00 0.00 175.10 175.76 3mks s TRP 492 N -0.02 1.38 0.17 5.22 0.52 0.58 -1.29 118.94 125.51 3mks s TRP 492 Ca -0.00 -0.61 -0.28 0.00 0.02 0.00 0.00 56.10 55.23 3mks s TRP 492 Cb -0.14 -0.71 -0.08 0.00 -1.15 0.00 0.00 33.47 31.40 3mks s TRP 492 CO 0.03 0.14 0.88 0.15 0.02 0.00 0.00 176.95 178.17 3mks s LYS 493 N -3.02 4.71 -0.04 4.98 1.02 0.44 -0.39 119.74 127.43 3mks s LYS 493 Ca 0.12 1.34 -0.30 0.00 0.02 0.00 0.00 55.97 57.15 3mks s LYS 493 Cb -0.03 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 3mks s LYS 493 CO 0.03 0.45 1.48 -1.17 -0.92 0.00 0.00 175.35 175.21 3mks s LEU 494 N -0.82 4.30 0.48 3.17 2.96 -0.05 -4.73 118.68 123.98 3mks s LEU 494 Ca 0.40 2.10 -0.23 0.00 -0.22 0.00 0.00 54.13 56.18 3mks s LEU 494 Cb -0.24 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 3mks s LEU 494 CO 0.29 -0.81 1.27 -2.84 -1.32 0.00 0.00 176.35 172.94 3mks s PRO 495 N 3.16 3.60 0.00 0.98 0.02 -1.26 -4.79 135.00 136.71 3mks s PRO 495 Ca 0.66 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.71 3mks s PRO 495 Cb -0.31 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.77 3mks s PRO 495 CO 0.26 -0.75 0.00 1.17 -0.33 0.00 0.00 177.00 177.34 3mks n LYS 496 N -0.51 0.00 0.00 5.54 3.00 -1.26 -5.14 118.16 119.78 3mks n LYS 496 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3mks n LYS 496 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 35.03 35.28 3mks n LYS 496 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3mks n GLU 497 N -2.02 0.00 0.00 1.64 0.28 -1.26 -5.23 120.64 114.05 3mks n GLU 497 Ca 0.00 0.94 0.00 0.00 -0.16 0.00 0.00 57.16 57.94 3mks n GLU 497 Cb 0.00 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.44 3mks n GLU 497 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 3mks n TYR 509 N -2.82 0.00 -1.56 -1.84 9.36 -1.26 -5.31 117.16 113.73 3mks n TYR 509 Ca 0.00 0.00 -0.57 0.00 3.32 0.00 0.00 57.90 60.65 3mks n TYR 509 Cb 0.00 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.64 3mks n TYR 509 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3mks n PRO 510 N 0.00 0.53 -2.83 2.98 -0.04 -1.24 -4.96 135.00 129.44 3mks n PRO 510 Ca 0.00 0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 3mks n PRO 510 Cb 0.00 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 3mks n PRO 510 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mks s LEU 511 N 0.54 4.03 -0.20 1.53 1.43 0.12 -4.91 118.68 121.22 3mks s LEU 511 Ca 0.89 0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 54.59 3mks s LEU 511 Cb -1.14 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.79 3mks s LEU 511 CO 0.55 -0.77 0.13 -0.69 0.23 0.00 0.00 176.35 175.80 3mks s VAL 512 N 3.30 5.41 -0.34 -1.59 1.01 -1.26 -0.73 120.40 126.19 3mks s VAL 512 Ca 0.37 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.56 3mks s VAL 512 Cb -0.13 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.87 3mks s VAL 512 CO 0.16 0.44 0.06 -0.36 0.00 0.00 0.00 175.10 175.39 3mks s PHE 513 N 0.35 3.58 -0.34 5.22 0.40 -0.17 -4.94 117.98 122.10 3mks s PHE 513 Ca 0.08 -2.62 0.21 0.00 -0.60 0.00 0.00 56.93 54.01 3mks s PHE 513 Cb -0.11 -2.74 0.20 0.00 0.51 0.00 0.00 43.02 40.88 3mks s PHE 513 CO -0.02 -0.93 1.43 0.45 0.70 0.00 0.00 175.22 176.86 3mks h HIS 514 N 7.79 0.00 -3.49 0.36 3.86 -1.88 -1.28 115.15 120.50 3mks h HIS 514 Ca -0.11 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.52 3mks h HIS 514 Cb 1.03 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 29.12 3mks h HIS 514 CO 0.53 0.11 -0.79 0.99 0.86 0.00 0.00 177.93 179.63 3mks s THR 515 N -3.19 1.30 0.29 2.45 2.01 -1.26 -4.71 115.64 112.53 3mks s THR 515 Ca 0.05 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 3mks s THR 515 Cb 0.06 -1.56 0.28 0.00 0.01 0.00 0.00 72.50 71.29 3mks s THR 515 CO 0.71 -0.04 1.89 -0.65 -0.69 0.00 0.00 174.62 175.84 3mks h PRO 516 N 8.04 1.04 -1.00 4.92 0.11 -1.84 -0.25 132.00 143.01 3mks h PRO 516 Ca -0.20 -0.06 0.27 0.00 0.11 0.00 0.00 66.00 66.12 3mks h PRO 516 Cb 1.09 -0.23 -0.13 0.00 0.11 0.00 0.00 31.00 31.83 3mks h PRO 516 CO 0.40 0.69 0.57 0.93 -0.21 0.00 0.00 178.00 180.38 3mks h GLU 517 N 1.07 0.46 -0.50 1.05 5.08 -1.96 -0.61 114.58 119.17 3mks h GLU 517 Ca 0.42 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3mks h GLU 517 Cb 0.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3mks h GLU 517 CO -0.17 0.30 0.00 0.39 -1.00 0.00 0.00 179.01 178.53 3mks n GLU 518 N -4.96 2.81 -3.45 2.33 1.02 -0.16 -4.91 120.64 113.32 3mks n GLU 518 Ca 0.29 -2.29 -0.40 0.00 -0.02 0.00 0.00 57.16 54.74 3mks n GLU 518 Cb 0.84 -1.39 -0.10 0.00 -0.02 0.00 0.00 31.44 30.77 3mks n GLU 518 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3mks s ASN 519 N -1.00 6.15 0.00 1.62 3.04 -0.24 -4.95 114.94 119.56 3mks s ASN 519 Ca 0.33 -0.10 0.13 0.00 0.04 0.00 0.00 52.86 53.26 3mks s ASN 519 Cb 0.17 -2.18 0.58 0.00 -1.54 0.00 0.00 41.25 38.28 3mks s ASN 519 CO 0.23 -0.24 1.39 -0.81 -3.04 0.00 0.00 177.10 174.63 3mks n PRO 520 N 5.28 0.05 0.00 0.43 -0.04 -1.26 -2.31 135.00 137.15 3mks n PRO 520 Ca -0.10 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 3mks n PRO 520 Cb 0.50 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 3mks n PRO 520 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mks n TYR 521 N -1.44 0.00 -2.83 0.54 4.01 -1.26 -4.88 117.16 111.29 3mks n TYR 521 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 3mks n TYR 521 Cb 0.14 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 3mks n TYR 521 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3mks s PHE 522 N -2.66 3.27 -0.16 -0.72 5.36 -0.98 0.17 117.98 122.27 3mks s PHE 522 Ca 0.16 1.13 -0.18 0.00 -0.96 0.00 0.00 56.93 57.07 3mks s PHE 522 Cb 0.18 -3.20 -0.15 0.00 -0.34 0.00 0.00 43.02 39.50 3mks s PHE 522 CO 0.66 -0.50 0.27 0.28 -1.46 0.00 0.00 175.22 174.47 3mks h VAL 523 N 5.51 0.85 0.00 3.12 2.07 -1.52 -3.48 116.25 122.81 3mks h VAL 523 Ca -0.22 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.48 3mks h VAL 523 Cb 1.08 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3mks h VAL 523 CO 0.91 0.29 0.00 0.61 0.02 0.00 0.00 177.57 179.40 3mks n GLY 524 N 1.58 -1.85 3.65 2.17 0.00 -1.19 -5.01 105.19 104.54 3mks n GLY 524 Ca -0.16 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 3mks n GLY 524 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mks s VAL 525 N -2.12 4.13 -0.35 1.61 1.01 -1.26 -1.27 120.40 122.15 3mks s VAL 525 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 3mks s VAL 525 Cb 0.00 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3mks s VAL 525 CO 0.00 0.60 0.23 -0.76 0.00 0.00 0.00 175.10 175.17 3mks s LEU 526 N -0.83 4.56 -0.09 3.92 1.02 0.13 -4.96 118.68 122.43 3mks s LEU 526 Ca 0.13 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.73 3mks s LEU 526 Cb -0.11 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 3mks s LEU 526 CO 0.02 -0.27 -0.15 -0.13 0.02 0.00 0.00 176.35 175.84 3mks s ARG 527 N 1.68 2.94 0.00 1.70 0.52 -1.26 -1.58 118.95 122.95 3mks s ARG 527 Ca 0.05 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 3mks s ARG 527 Cb -0.18 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.81 3mks s ARG 527 CO 0.09 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.23 3mks n GLY 528 N 2.96 0.19 3.75 -3.53 0.00 -1.26 -4.97 105.19 102.33 3mks n GLY 528 Ca -0.18 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3mks n GLY 528 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mks s HIS 529 N 0.00 2.32 -1.29 1.61 3.76 -1.26 -4.96 115.29 115.48 3mks s HIS 529 Ca 0.00 1.48 0.12 0.00 -0.15 0.00 0.00 55.06 56.51 3mks s HIS 529 Cb 0.00 -3.60 0.21 0.00 1.11 0.00 0.00 32.58 30.30 3mks s HIS 529 CO 0.00 -2.49 1.08 -1.33 -0.85 0.00 0.00 174.74 171.15 3mks n MET 530 N -1.46 1.75 -3.85 1.40 0.00 -1.26 -4.80 117.12 108.91 3mks n MET 530 Ca 0.13 -1.66 -0.09 0.00 0.00 0.00 0.00 57.70 56.08 3mks n MET 530 Cb 0.48 -1.27 0.01 0.00 0.00 0.00 0.00 33.22 32.45 3mks n MET 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3mks s ALA 531 N -1.01 -0.65 0.13 3.04 0.00 -1.26 -4.88 121.76 117.13 3mks s ALA 531 Ca 0.20 -0.77 -0.32 0.00 0.00 0.00 0.00 51.96 51.07 3mks s ALA 531 Cb 0.12 0.75 -0.18 0.00 0.00 0.00 0.00 23.12 23.81 3mks s ALA 531 CO 0.16 -0.97 0.72 0.45 0.00 0.00 0.00 175.76 176.12 3mks n SER 532 N -1.26 -0.78 -4.40 0.00 2.88 -1.26 -4.23 113.62 104.57 3mks n SER 532 Ca -0.07 1.14 -0.44 0.00 -1.33 0.00 0.00 58.87 58.17 3mks n SER 532 Cb 0.60 -0.95 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 3mks n SER 532 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3mks s VAL 533 N -0.65 4.87 0.11 2.46 1.01 -0.39 -0.94 120.40 126.87 3mks s VAL 533 Ca 0.73 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 3mks s VAL 533 Cb -1.04 -4.40 -0.19 0.00 0.00 0.00 0.00 36.38 30.75 3mks s VAL 533 CO 0.56 -0.98 1.28 -0.09 0.00 0.00 0.00 175.10 175.87 3mks h ARG 534 N 9.09 0.61 -3.07 2.72 1.12 -1.71 -3.33 114.38 119.81 3mks h ARG 534 Ca -0.29 -0.60 -0.19 0.00 -1.11 0.00 0.00 59.98 57.79 3mks h ARG 534 Cb 1.09 0.16 -0.28 0.00 -0.01 0.00 0.00 29.97 30.92 3mks h ARG 534 CO 1.04 1.21 -0.47 -0.08 -3.11 0.00 0.00 179.97 178.56 3mks s THR 535 N -3.44 -0.03 0.04 0.20 -1.32 -1.16 -4.40 115.64 105.53 3mks s THR 535 Ca -0.08 0.10 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 3mks s THR 535 Cb 0.08 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.68 3mks s THR 535 CO 0.89 0.04 -0.11 0.68 -2.21 0.00 0.00 174.62 173.91 3mks s VAL 536 N 0.90 0.86 -0.18 5.08 -7.23 -1.26 -1.24 120.40 117.32 3mks s VAL 536 Ca -0.06 -1.02 -0.05 0.00 -1.81 0.00 0.00 61.98 59.04 3mks s VAL 536 Cb -0.08 -0.83 0.09 0.00 0.56 0.00 0.00 36.38 36.13 3mks s VAL 536 CO -0.06 -0.16 0.33 -0.55 -0.31 0.00 0.00 175.10 174.35 3mks s SER 537 N -1.31 0.29 0.20 4.85 0.15 0.55 -4.75 113.70 113.67 3mks s SER 537 Ca -0.03 0.52 0.05 0.00 0.70 0.00 0.00 55.95 57.20 3mks s SER 537 Cb -0.08 0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 65.11 3mks s SER 537 CO 0.01 -0.26 -0.08 -0.83 1.20 0.00 0.00 173.24 173.28 3mks s GLY 538 N 2.49 1.38 -0.11 9.45 0.00 -1.26 -0.80 107.32 118.47 3mks s GLY 538 Ca 0.04 -1.66 -0.06 0.00 0.00 0.00 0.00 44.72 43.04 3mks s GLY 538 CO -0.12 -1.69 0.27 -1.58 0.00 0.00 0.00 173.10 169.99 3mks s HIS 539 N -3.21 -0.37 0.00 1.90 2.46 -0.54 -4.87 115.29 110.66 3mks s HIS 539 Ca 0.23 0.86 0.00 0.00 0.47 0.00 0.00 55.06 56.62 3mks s HIS 539 Cb 0.03 0.08 0.00 0.00 -0.13 0.00 0.00 32.58 32.56 3mks s HIS 539 CO 0.06 -0.25 0.00 0.41 -2.47 0.00 0.00 174.74 172.49 3mks n GLY 540 N 4.24 3.13 0.63 1.59 0.00 -1.26 -2.24 105.19 111.28 3mks n GLY 540 Ca -0.25 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.64 3mks n GLY 540 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mks n ASN 541 N 4.49 1.88 -4.49 1.61 6.94 -1.26 -4.41 115.26 120.01 3mks n ASN 541 Ca 0.00 -1.81 -0.34 0.00 -0.02 0.00 0.00 54.58 52.42 3mks n ASN 541 Cb 0.00 -0.15 -0.12 0.00 -2.36 0.00 0.00 39.78 37.14 3mks n ASN 541 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3mks s ILE 542 N -1.69 3.77 -0.02 1.53 -1.09 -0.95 0.19 121.20 122.93 3mks s ILE 542 Ca 0.31 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 3mks s ILE 542 Cb 0.17 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 3mks s ILE 542 CO 0.24 0.51 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.71 3mks s VAL 543 N 0.22 0.57 -0.07 2.92 1.01 -0.80 -1.47 120.40 122.78 3mks s VAL 543 Ca -0.03 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3mks s VAL 543 Cb -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 3mks s VAL 543 CO 0.03 0.19 -0.24 -0.69 0.00 0.00 0.00 175.10 174.39 3mks s VAL 544 N 0.18 2.12 0.11 2.92 1.01 0.02 -0.85 120.40 125.91 3mks s VAL 544 Ca -0.02 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.02 3mks s VAL 544 Cb -0.07 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3mks s VAL 544 CO -0.00 0.57 -0.24 -0.94 0.00 0.00 0.00 175.10 174.49 3mks s SER 545 N -0.10 2.92 0.14 3.32 1.04 -0.89 -0.33 113.70 119.79 3mks s SER 545 Ca -0.05 -0.71 0.08 0.00 0.48 0.00 0.00 55.95 55.75 3mks s SER 545 Cb -0.14 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 3mks s SER 545 CO 0.04 0.12 -0.19 -0.83 0.98 0.00 0.00 173.24 173.36 3mks s GLY 546 N -1.94 1.34 0.10 7.32 0.00 -0.38 -1.56 107.32 112.21 3mks s GLY 546 Ca 0.10 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.46 3mks s GLY 546 CO 0.05 -1.43 -0.11 -0.45 0.00 0.00 0.00 173.10 171.16 3mks s SER 547 N -2.37 1.56 0.00 1.64 0.15 -0.72 -2.17 113.70 111.79 3mks s SER 547 Ca 0.12 -0.82 0.10 0.00 0.70 0.00 0.00 55.95 56.05 3mks s SER 547 Cb -0.07 -0.01 0.49 0.00 -1.71 0.00 0.00 66.02 64.72 3mks s SER 547 CO 0.06 -0.25 1.27 -1.22 1.20 0.00 0.00 173.24 174.30 3mks n TYR 548 N 0.51 0.00 1.66 3.44 4.01 -0.12 -1.94 117.16 124.72 3mks n TYR 548 Ca -0.16 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.71 3mks n TYR 548 Cb 0.58 -0.37 0.75 0.00 -0.31 0.00 0.00 39.34 39.98 3mks n TYR 548 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3mks n ASP 549 N -1.37 0.00 0.00 7.72 5.68 -1.26 -4.52 116.55 122.79 3mks n ASP 549 Ca 0.04 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 3mks n ASP 549 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3mks n ASP 549 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3mks n ASN 550 N -0.97 -2.64 -4.07 -1.12 3.02 -0.82 -4.98 115.26 103.67 3mks n ASN 550 Ca 0.19 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.59 3mks n ASN 550 Cb 0.09 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 38.68 3mks n ASN 550 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mks s THR 551 N -2.00 0.69 -0.12 3.41 2.01 -1.25 -4.27 115.64 114.11 3mks s THR 551 Ca 0.00 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 3mks s THR 551 Cb 0.00 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 3mks s THR 551 CO 0.00 -0.22 0.01 -0.76 -0.69 0.00 0.00 174.62 172.96 3mks s LEU 552 N -1.31 3.61 -0.08 4.42 1.43 -1.01 -1.75 118.68 124.00 3mks s LEU 552 Ca -0.05 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3mks s LEU 552 Cb -0.08 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3mks s LEU 552 CO 0.01 0.31 -0.02 -0.63 0.23 0.00 0.00 176.35 176.24 3mks s ILE 553 N -0.44 4.11 -0.19 -0.59 1.01 -0.60 0.70 121.20 125.20 3mks s ILE 553 Ca 0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 3mks s ILE 553 Cb -0.12 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3mks s ILE 553 CO 0.02 0.60 0.08 -0.69 0.00 0.00 0.00 174.94 174.95 3mks s VAL 554 N -0.81 4.89 0.03 2.92 1.01 0.46 -2.09 120.40 126.80 3mks s VAL 554 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.19 3mks s VAL 554 Cb -0.11 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3mks s VAL 554 CO 0.02 0.45 -0.24 0.26 0.00 0.00 0.00 175.10 175.59 3mks s TRP 555 N 0.45 2.39 -0.28 5.22 0.52 -0.03 0.17 118.94 127.38 3mks s TRP 555 Ca 0.04 -0.38 -0.20 0.00 0.02 0.00 0.00 56.10 55.59 3mks s TRP 555 Cb -0.12 -1.44 -0.02 0.00 -1.15 0.00 0.00 33.47 30.74 3mks s TRP 555 CO 0.00 0.12 0.59 0.34 0.02 0.00 0.00 176.95 178.03 3mks s ASP 556 N -1.14 6.50 0.05 2.95 -1.08 0.73 -1.91 116.67 122.78 3mks s ASP 556 Ca 0.12 0.53 0.26 0.00 -0.52 0.00 0.00 52.55 52.94 3mks s ASP 556 Cb -0.10 -2.32 0.68 0.00 -1.46 0.00 0.00 42.92 39.72 3mks s ASP 556 CO 0.02 -0.39 1.55 0.52 0.52 0.00 0.00 175.17 177.39 3mks n VAL 557 N 5.27 0.14 0.02 1.11 0.31 0.49 -1.71 118.33 123.96 3mks n VAL 557 Ca -0.02 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.12 3mks n VAL 557 Cb 0.49 -0.10 -0.13 0.00 -0.91 0.00 0.00 33.84 33.18 3mks n VAL 557 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mks h ALA 558 N 2.84 0.56 -0.01 3.52 0.00 -1.93 -3.30 119.26 120.93 3mks h ALA 558 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3mks h ALA 558 Cb 0.58 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3mks h ALA 558 CO 0.00 1.41 -0.29 1.04 0.00 0.00 0.00 179.25 181.40 3mks n GLN 559 N -3.22 0.93 -3.64 0.00 1.13 -1.24 -4.98 117.38 106.37 3mks n GLN 559 Ca -0.13 -0.61 -0.27 0.00 -1.94 0.00 0.00 57.00 54.05 3mks n GLN 559 Cb 1.02 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.89 3mks n GLN 559 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3mks n MET 560 N -0.50 -4.52 -4.60 -1.09 2.81 -0.69 -4.99 117.12 103.53 3mks n MET 560 Ca 0.12 0.57 -0.30 0.00 -1.81 0.00 0.00 57.70 56.28 3mks n MET 560 Cb 0.37 -5.39 -0.13 0.00 -0.71 0.00 0.00 33.22 27.36 3mks n MET 560 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3mks s LYS 561 N -6.32 1.75 0.15 0.03 -0.14 -0.80 -4.99 119.74 109.42 3mks s LYS 561 Ca 0.54 -1.16 -0.31 0.00 -1.36 0.00 0.00 55.97 53.68 3mks s LYS 561 Cb -0.27 -2.03 -0.10 0.00 -1.68 0.00 0.00 37.83 33.74 3mks s LYS 561 CO 0.66 0.50 1.71 0.00 -0.76 0.00 0.00 175.35 177.46 3mks n LEU 563 N 4.74 2.21 -3.89 0.00 4.77 0.46 -4.83 117.00 120.46 3mks n LEU 563 Ca 0.16 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 3mks n LEU 563 Cb 0.38 -0.92 -0.13 0.00 -2.33 0.00 0.00 43.42 40.41 3mks n LEU 563 CO 0.64 0.60 -0.36 -0.31 -1.33 0.00 0.00 177.39 176.63 3mks s TYR 564 N -2.48 0.05 -0.15 -1.77 2.02 -0.94 -4.98 117.35 109.11 3mks s TYR 564 Ca -0.33 -0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 3mks s TYR 564 Cb 0.10 -0.04 -0.05 0.00 -0.40 0.00 0.00 41.96 41.58 3mks s TYR 564 CO 0.57 -0.04 0.22 0.42 -1.57 0.00 0.00 175.55 175.16 3mks s ILE 565 N -0.30 5.35 -0.37 2.71 1.01 -1.26 -0.41 121.20 127.94 3mks s ILE 565 Ca -0.03 0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.94 3mks s ILE 565 Cb -0.02 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 38.97 3mks s ILE 565 CO -0.00 0.47 0.16 -0.76 0.00 0.00 0.00 174.94 174.81 3mks s LEU 566 N -0.05 4.65 0.10 2.97 1.43 0.22 -4.99 118.68 123.02 3mks s LEU 566 Ca 0.14 -1.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.00 3mks s LEU 566 Cb -0.13 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3mks s LEU 566 CO 0.03 -0.41 -0.06 -0.44 0.23 0.00 0.00 176.35 175.70 3mks s SER 567 N 1.65 4.64 0.00 2.29 0.01 -1.26 -2.39 113.70 118.63 3mks s SER 567 Ca 0.01 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3mks s SER 567 Cb -0.21 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.05 3mks s SER 567 CO 0.02 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.45 3mks n GLY 568 N 0.60 2.84 3.60 3.44 0.00 -1.26 -5.01 105.19 109.40 3mks n GLY 568 Ca -0.12 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 3mks n GLY 568 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mks n HIS 569 N 0.00 0.63 -1.00 1.61 8.25 -1.26 -4.92 115.22 118.53 3mks n HIS 569 Ca 0.00 0.41 0.09 0.00 -0.26 0.00 0.00 57.72 57.96 3mks n HIS 569 Cb 0.00 -2.10 0.12 0.00 1.12 0.00 0.00 29.99 29.13 3mks n HIS 569 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3mks n THR 570 N -2.06 1.76 -3.80 1.59 -2.24 -1.26 -4.91 114.28 103.36 3mks n THR 570 Ca 0.13 -2.09 -0.04 0.00 -2.27 0.00 0.00 64.05 59.78 3mks n THR 570 Cb 0.48 -0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3mks n THR 570 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mks s ASP 571 N -2.66 -0.13 0.25 3.42 -1.08 -1.26 -4.87 116.67 110.35 3mks s ASP 571 Ca 0.28 -0.57 -0.27 0.00 -0.52 0.00 0.00 52.55 51.47 3mks s ASP 571 Cb 0.25 0.56 -0.16 0.00 -1.46 0.00 0.00 42.92 42.11 3mks s ASP 571 CO 0.03 -1.06 0.69 0.54 0.52 0.00 0.00 175.17 175.89 3mks n ARG 572 N -0.53 0.54 -3.66 4.34 1.74 -1.26 -4.44 116.66 113.39 3mks n ARG 572 Ca -0.05 0.19 -0.36 0.00 -0.77 0.00 0.00 57.85 56.86 3mks n ARG 572 Cb 0.60 -1.35 -0.07 0.00 -1.02 0.00 0.00 32.46 30.62 3mks n ARG 572 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3mks s ILE 573 N -1.07 5.37 0.00 0.55 1.01 -0.99 0.70 121.20 126.76 3mks s ILE 573 Ca 0.62 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.61 3mks s ILE 573 Cb -0.82 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.12 3mks s ILE 573 CO 0.58 0.44 0.02 0.00 0.00 0.00 0.00 174.94 175.98 3mks n TYR 574 N 3.37 0.00 -3.72 3.97 0.18 -0.73 -4.27 117.16 115.96 3mks n TYR 574 Ca -0.15 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.51 3mks n TYR 574 Cb 0.52 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.38 3mks n TYR 574 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3mks s SER 575 N -0.91 -0.45 0.01 9.48 0.15 -1.21 -4.70 113.70 116.08 3mks s SER 575 Ca 0.00 0.83 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 3mks s SER 575 Cb 0.00 0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 3mks s SER 575 CO 0.00 -0.16 0.00 0.28 1.20 0.00 0.00 173.24 174.56 3mks s THR 576 N 0.62 0.09 -0.09 6.45 -1.32 -1.26 -1.29 115.64 118.85 3mks s THR 576 Ca -0.03 -0.76 0.01 0.00 -1.21 0.00 0.00 61.69 59.69 3mks s THR 576 Cb -0.05 -0.26 0.02 0.00 -1.51 0.00 0.00 72.50 70.70 3mks s THR 576 CO -0.04 -0.42 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.22 3mks s ILE 577 N -1.27 1.08 -0.36 5.08 1.01 -0.36 -4.61 121.20 121.78 3mks s ILE 577 Ca -0.14 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 3mks s ILE 577 Cb -0.08 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.36 3mks s ILE 577 CO -0.00 0.36 0.93 -0.47 0.00 0.00 0.00 174.94 175.75 3mks s TYR 578 N 1.16 3.10 -0.88 3.97 5.04 -1.26 -0.69 117.35 127.78 3mks s TYR 578 Ca -0.05 0.82 -0.18 0.00 -2.44 0.00 0.00 57.07 55.22 3mks s TYR 578 Cb -0.14 -3.61 0.14 0.00 0.35 0.00 0.00 41.96 38.70 3mks s TYR 578 CO -0.02 -0.79 1.04 0.34 -1.34 0.00 0.00 175.55 174.77 3mks s ASP 579 N 1.83 6.61 0.32 4.32 2.15 0.10 -4.90 116.67 127.10 3mks s ASP 579 Ca 0.38 -2.08 0.05 0.00 0.43 0.00 0.00 52.55 51.33 3mks s ASP 579 Cb -0.12 -2.36 0.54 0.00 -0.30 0.00 0.00 42.92 40.68 3mks s ASP 579 CO 0.18 -1.00 1.79 1.12 -0.17 0.00 0.00 175.17 177.09 3mks h HIS 580 N 8.70 0.43 -0.46 -5.34 -0.00 -1.95 0.27 115.15 116.81 3mks h HIS 580 Ca 0.11 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3mks h HIS 580 Cb 1.03 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.31 3mks h HIS 580 CO 1.12 0.58 0.26 1.49 -0.00 0.00 0.00 177.93 181.38 3mks h GLU 581 N 0.36 0.63 -0.01 5.12 4.81 -1.95 -3.17 114.58 120.36 3mks h GLU 581 Ca 0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3mks h GLU 581 Cb 0.56 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3mks h GLU 581 CO 0.04 0.48 -0.64 0.54 -0.73 0.00 0.00 179.01 178.70 3mks n ARG 582 N -4.71 0.99 -3.14 1.92 1.74 -1.18 -4.99 116.66 107.30 3mks n ARG 582 Ca 0.01 -0.59 -0.14 0.00 -0.77 0.00 0.00 57.85 56.37 3mks n ARG 582 Cb 0.07 -1.43 0.07 0.00 -1.02 0.00 0.00 32.46 30.15 3mks n ARG 582 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mks n LYS 583 N -0.60 -4.97 -4.19 5.56 4.01 0.74 -4.93 118.16 113.78 3mks n LYS 583 Ca 0.07 0.69 -0.12 0.00 -0.51 0.00 0.00 58.31 58.45 3mks n LYS 583 Cb 0.39 -5.22 -0.10 0.00 -0.51 0.00 0.00 35.03 29.59 3mks n LYS 583 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3mks s ARG 584 N -4.99 0.90 -0.02 1.97 0.52 -0.03 -0.99 118.95 116.32 3mks s ARG 584 Ca 0.05 -1.37 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 3mks s ARG 584 Cb -0.01 -0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.10 3mks s ARG 584 CO 0.60 0.01 -0.14 0.00 0.02 0.00 0.00 175.30 175.79 3mks s ILE 586 N -0.81 2.17 0.08 0.00 1.01 0.13 0.69 121.20 124.49 3mks s ILE 586 Ca 0.13 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.89 3mks s ILE 586 Cb -0.11 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3mks s ILE 586 CO 0.02 0.55 -0.18 -0.94 0.00 0.00 0.00 174.94 174.39 3mks s SER 587 N 0.65 2.14 -0.01 3.58 1.04 0.26 -1.22 113.70 120.14 3mks s SER 587 Ca -0.11 -0.64 0.06 0.00 0.48 0.00 0.00 55.95 55.74 3mks s SER 587 Cb -0.16 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3mks s SER 587 CO 0.02 0.00 -0.20 0.00 0.98 0.00 0.00 173.24 174.05 3mks s ALA 588 N -1.18 1.64 0.05 5.32 0.00 -0.41 -1.11 121.76 126.06 3mks s ALA 588 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3mks s ALA 588 Cb -0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3mks s ALA 588 CO 0.03 0.40 -0.10 0.45 0.00 0.00 0.00 175.76 176.54 3mks s SER 589 N -0.49 1.17 0.57 0.00 0.15 -1.02 -1.76 113.70 112.32 3mks s SER 589 Ca 0.08 -0.55 0.28 0.00 0.70 0.00 0.00 55.95 56.46 3mks s SER 589 Cb -0.08 -0.00 1.50 0.00 -1.71 0.00 0.00 66.02 65.73 3mks s SER 589 CO -0.01 -0.14 1.97 -0.03 1.20 0.00 0.00 173.24 176.23 3mks h MET 590 N 4.52 0.00 0.00 5.44 4.05 0.05 0.32 114.93 129.31 3mks h MET 590 Ca -0.37 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 3mks h MET 590 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 3mks h MET 590 CO 0.41 0.00 0.02 -0.40 0.23 0.00 0.00 176.91 177.17 3mks n ASP 591 N -3.93 0.00 0.00 1.39 5.68 -1.26 -4.82 116.55 113.61 3mks n ASP 591 Ca 0.08 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 3mks n ASP 591 Cb 0.59 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3mks n ASP 591 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3mks n THR 592 N -1.31 0.00 -4.44 2.12 -1.04 0.10 -4.99 114.28 104.73 3mks n THR 592 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 3mks n THR 592 Cb 0.02 -0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.42 3mks n THR 592 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3mks s THR 593 N -2.00 2.35 -0.06 12.58 -4.23 -1.25 -4.60 115.64 118.43 3mks s THR 593 Ca 0.00 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 58.32 3mks s THR 593 Cb 0.00 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 3mks s THR 593 CO 0.00 -0.29 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.05 3mks s ILE 594 N -2.16 3.35 0.06 2.99 1.01 -0.53 -2.42 121.20 123.49 3mks s ILE 594 Ca 0.25 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.36 3mks s ILE 594 Cb -0.06 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3mks s ILE 594 CO 0.12 0.59 -0.21 -0.13 0.00 0.00 0.00 174.94 175.31 3mks s ARG 595 N -0.74 1.33 -0.14 2.79 0.52 -0.27 0.37 118.95 122.81 3mks s ARG 595 Ca 0.11 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3mks s ARG 595 Cb -0.11 -1.48 -0.00 0.00 0.52 0.00 0.00 34.95 33.87 3mks s ARG 595 CO 0.01 0.37 -0.16 0.42 0.02 0.00 0.00 175.30 175.96 3mks s ILE 596 N -0.89 2.62 0.10 1.52 -1.09 -0.92 0.91 121.20 123.46 3mks s ILE 596 Ca 0.07 -0.79 0.10 0.00 -2.23 0.00 0.00 60.65 57.79 3mks s ILE 596 Cb -0.09 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 3mks s ILE 596 CO 0.02 0.52 -0.24 0.26 -1.23 0.00 0.00 174.94 174.27 3mks s TRP 597 N 0.69 2.11 -0.25 3.97 0.52 0.22 -0.18 118.94 126.01 3mks s TRP 597 Ca -0.08 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.53 3mks s TRP 597 Cb -0.16 -1.17 -0.05 0.00 -1.15 0.00 0.00 33.47 30.94 3mks s TRP 597 CO 0.02 0.25 0.23 0.34 0.02 0.00 0.00 176.95 177.80 3mks s ASP 598 N -1.82 6.13 0.00 2.95 -1.08 0.90 0.25 116.67 124.00 3mks s ASP 598 Ca 0.11 0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.51 3mks s ASP 598 Cb -0.10 -2.14 0.72 0.00 -1.46 0.00 0.00 42.92 39.94 3mks s ASP 598 CO 0.05 -0.03 1.55 0.18 0.52 0.00 0.00 175.17 177.44 3mks n LEU 599 N 4.73 2.07 0.12 -1.34 4.77 -0.16 -1.96 117.00 125.23 3mks n LEU 599 Ca -0.13 -0.78 -0.02 0.00 -0.03 0.00 0.00 56.01 55.04 3mks n LEU 599 Cb 0.52 -0.07 0.14 0.00 -2.33 0.00 0.00 43.42 41.67 3mks n LEU 599 CO 0.35 0.39 0.46 -0.33 -1.33 0.00 0.00 177.39 176.93 3mks h GLU 600 N 2.98 0.04 0.00 3.23 4.39 -1.94 -3.39 114.58 119.89 3mks h GLU 600 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3mks h GLU 600 Cb 0.64 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3mks h GLU 600 CO 0.00 0.68 0.00 0.27 -1.16 0.00 0.00 179.01 178.80 3mks n ASN 605 N -3.78 0.13 -1.88 1.42 0.23 -1.22 -5.00 115.26 105.15 3mks n ASN 605 Ca -0.01 -1.06 -0.17 0.00 -0.53 0.00 0.00 54.58 52.80 3mks n ASN 605 Cb 0.64 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.30 3mks n ASN 605 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mks n GLY 606 N -0.03 0.77 3.88 4.83 0.00 -0.83 -5.00 105.19 108.82 3mks n GLY 606 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3mks n GLY 606 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mks s GLU 607 N -4.12 3.71 0.17 1.61 0.41 -1.00 -4.83 118.70 114.63 3mks s GLU 607 Ca 0.00 0.08 -0.31 0.00 -0.41 0.00 0.00 54.97 54.33 3mks s GLU 607 Cb 0.00 -2.85 -0.09 0.00 -1.78 0.00 0.00 34.13 29.41 3mks s GLU 607 CO 0.00 0.47 1.43 -1.17 -0.49 0.00 0.00 175.26 175.50 3mks s LEU 608 N -2.44 4.38 -0.20 1.80 2.96 -1.26 -0.07 118.68 123.84 3mks s LEU 608 Ca 0.40 2.48 -0.16 0.00 -0.22 0.00 0.00 54.13 56.63 3mks s LEU 608 Cb -0.13 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3mks s LEU 608 CO 0.22 -0.69 -0.27 0.23 -1.32 0.00 0.00 176.35 174.52 3mks n MET 625 N 3.45 0.54 -3.88 1.98 2.81 0.75 -4.83 117.12 117.94 3mks n MET 625 Ca 0.10 0.32 -0.11 0.00 -1.81 0.00 0.00 57.70 56.20 3mks n MET 625 Cb 0.41 -1.52 -0.12 0.00 -0.71 0.00 0.00 33.22 31.28 3mks n MET 625 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3mks s TYR 626 N -2.63 0.01 -0.14 2.03 2.02 -1.04 -5.00 117.35 112.60 3mks s TYR 626 Ca -0.29 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3mks s TYR 626 Cb 0.07 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 3mks s TYR 626 CO 0.42 -0.15 -0.20 0.99 -1.57 0.00 0.00 175.55 175.04 3mks s THR 627 N -0.66 2.24 -0.13 -0.71 2.01 -1.26 -2.16 115.64 114.97 3mks s THR 627 Ca -0.07 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 3mks s THR 627 Cb -0.05 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 3mks s THR 627 CO 0.00 0.54 0.01 -0.76 -0.69 0.00 0.00 174.62 173.73 3mks s LEU 628 N 0.73 3.59 -0.23 4.42 1.43 0.16 -4.98 118.68 123.80 3mks s LEU 628 Ca -0.09 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 3mks s LEU 628 Cb -0.16 -1.86 0.16 0.00 0.03 0.00 0.00 46.19 44.36 3mks s LEU 628 CO 0.00 0.27 1.19 -1.58 0.23 0.00 0.00 176.35 176.47 3mks s GLN 629 N -0.26 0.32 0.00 1.70 0.74 -1.26 -1.45 119.66 119.46 3mks s GLN 629 Ca 0.06 0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.60 3mks s GLN 629 Cb -0.12 0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.14 3mks s GLN 629 CO 0.02 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 3mks n GLY 630 N 0.86 -0.50 0.00 2.59 0.00 -1.26 -5.11 105.19 101.76 3mks n GLY 630 Ca -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3mks n GLY 630 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mks n HIS 631 N 8.24 0.00 -3.78 1.61 8.25 -1.26 -5.03 115.22 123.25 3mks n HIS 631 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3mks n HIS 631 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 3mks n HIS 631 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3mks s THR 632 N -2.16 0.04 0.66 1.59 2.01 -1.26 -5.15 115.64 111.38 3mks s THR 632 Ca 0.00 -0.36 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 3mks s THR 632 Cb 0.00 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.98 3mks s THR 632 CO 0.00 -0.20 1.27 0.00 -0.69 0.00 0.00 174.62 175.01 3mks n ALA 633 N 1.83 1.02 -2.00 7.40 0.00 -1.26 -4.81 120.51 122.68 3mks n ALA 633 Ca -0.19 -0.03 -0.32 0.00 0.00 0.00 0.00 53.44 52.91 3mks n ALA 633 Cb 0.57 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 3mks n ALA 633 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mks s LEU 634 N -4.35 3.83 0.14 0.00 2.01 -1.26 -0.40 118.68 118.65 3mks s LEU 634 Ca 0.82 1.40 -0.00 0.00 0.01 0.00 0.00 54.13 56.35 3mks s LEU 634 Cb -0.37 -4.28 -0.04 0.00 0.01 0.00 0.00 46.19 41.51 3mks s LEU 634 CO 0.41 -0.41 0.04 0.68 1.01 0.00 0.00 176.35 178.08 3mks s VAL 635 N -2.34 0.24 0.12 -1.59 -7.23 -0.54 -4.76 120.40 104.30 3mks s VAL 635 Ca 0.56 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3mks s VAL 635 Cb -0.10 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.77 3mks s VAL 635 CO 0.25 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 3mks n GLY 636 N -0.13 -1.55 3.78 2.32 0.00 -1.26 -3.54 105.19 104.80 3mks n GLY 636 Ca -0.06 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 3mks n GLY 636 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3mks s LEU 637 N -3.99 4.35 0.60 0.99 2.34 -1.26 -4.84 118.68 116.86 3mks s LEU 637 Ca 0.00 1.86 -0.12 0.00 0.06 0.00 0.00 54.13 55.93 3mks s LEU 637 Cb 0.00 -3.99 -0.05 0.00 -0.56 0.00 0.00 46.19 41.59 3mks s LEU 637 CO 0.00 -0.08 1.02 -0.76 -1.06 0.00 0.00 176.35 175.47 3mks s LEU 638 N -2.02 3.31 0.01 1.48 1.43 -1.26 -4.59 118.68 117.04 3mks s LEU 638 Ca 0.50 1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 3mks s LEU 638 Cb -0.19 -4.46 -0.01 0.00 0.03 0.00 0.00 46.19 41.55 3mks s LEU 638 CO 0.25 -0.81 -0.00 -0.13 0.23 0.00 0.00 176.35 175.89 3mks s ARG 639 N -4.96 0.27 -0.23 1.70 1.81 -0.72 -5.00 118.95 111.83 3mks s ARG 639 Ca 0.56 -0.46 0.01 0.00 -1.72 0.00 0.00 55.73 54.12 3mks s ARG 639 Cb -0.11 0.10 0.06 0.00 -0.45 0.00 0.00 34.95 34.55 3mks s ARG 639 CO 0.50 -0.05 -0.08 -1.17 -0.68 0.00 0.00 175.30 173.82 3mks s LEU 640 N -1.16 2.70 0.00 2.53 0.20 -1.26 -1.04 118.68 120.65 3mks s LEU 640 Ca -0.13 -1.16 -0.00 0.00 0.69 0.00 0.00 54.13 53.53 3mks s LEU 640 Cb -0.08 -1.27 0.10 0.00 -0.43 0.00 0.00 46.19 44.51 3mks s LEU 640 CO -0.01 -0.21 0.71 -1.54 -0.29 0.00 0.00 176.35 175.01 3mks n SER 641 N 4.62 0.94 0.29 3.68 3.41 -0.07 -4.98 113.62 121.52 3mks n SER 641 Ca -0.13 -1.80 0.18 0.00 -0.26 0.00 0.00 58.87 56.86 3mks n SER 641 Cb 0.44 -0.46 0.83 0.00 -0.26 0.00 0.00 64.21 64.76 3mks n SER 641 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3mks h ASP 642 N -0.43 0.00 0.00 4.04 3.58 -1.98 -3.25 116.42 118.38 3mks h ASP 642 Ca -0.23 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.10 3mks h ASP 642 Cb 0.86 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 3mks h ASP 642 CO 0.25 0.02 -1.65 0.29 -2.88 0.00 0.00 179.24 175.27 3mks n LYS 643 N -3.16 1.46 -4.27 0.28 5.02 -1.26 -4.82 118.16 111.41 3mks n LYS 643 Ca -0.01 -0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.06 3mks n LYS 643 Cb 0.24 -1.28 -0.14 0.00 -0.02 0.00 0.00 35.03 33.83 3mks n LYS 643 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3mks s PHE 644 N -2.49 0.70 -0.13 2.13 2.99 -1.23 -1.49 117.98 118.46 3mks s PHE 644 Ca -0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 56.93 56.59 3mks s PHE 644 Cb 0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 43.02 42.58 3mks s PHE 644 CO 0.46 -0.01 0.27 -1.17 -0.00 0.00 0.00 175.22 174.76 3mks s LEU 645 N -0.33 4.30 -0.01 -0.37 2.96 0.79 -0.89 118.68 125.13 3mks s LEU 645 Ca 0.02 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 3mks s LEU 645 Cb -0.04 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.32 3mks s LEU 645 CO -0.00 0.19 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.44 3mks s VAL 646 N -0.04 0.72 0.03 1.68 1.01 -0.21 -0.94 120.40 122.65 3mks s VAL 646 Ca 0.17 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3mks s VAL 646 Cb -0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 3mks s VAL 646 CO 0.05 0.21 0.10 -0.55 0.00 0.00 0.00 175.10 174.90 3mks s SER 647 N -0.15 0.15 0.61 3.32 0.15 -0.38 -1.75 113.70 115.65 3mks s SER 647 Ca 0.03 -0.47 -0.10 0.00 0.70 0.00 0.00 55.95 56.10 3mks s SER 647 Cb -0.04 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 3mks s SER 647 CO -0.00 -0.48 1.00 0.00 1.20 0.00 0.00 173.24 174.97 3mks s ALA 648 N -2.34 3.13 0.12 5.45 0.00 -1.23 -0.81 121.76 126.08 3mks s ALA 648 Ca -0.07 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3mks s ALA 648 Cb -0.03 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 3mks s ALA 648 CO -0.03 -0.66 -0.09 0.00 0.00 0.00 0.00 175.76 174.98 3mks s ALA 649 N -3.13 1.22 -0.98 0.00 0.00 -0.23 -1.47 121.76 117.16 3mks s ALA 649 Ca 0.54 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3mks s ALA 649 Cb -0.11 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3mks s ALA 649 CO 0.53 -0.15 0.46 0.00 0.00 0.00 0.00 175.76 176.60 3mks n ALA 650 N -0.07 2.36 -1.21 0.00 0.00 0.46 -2.63 120.51 119.43 3mks n ALA 650 Ca -0.12 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.36 3mks n ALA 650 Cb 0.60 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 19.10 3mks n ALA 650 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mks n ASP 651 N 0.05 1.13 0.00 0.00 5.75 -1.26 -4.92 116.55 117.30 3mks n ASP 651 Ca 0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 3mks n ASP 651 Cb 0.23 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 3mks n ASP 651 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mks n GLY 652 N -0.58 0.55 3.35 6.12 0.00 -1.08 -4.75 105.19 108.79 3mks n GLY 652 Ca 0.06 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 3mks n GLY 652 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mks s SER 653 N -2.89 2.63 -0.09 1.61 1.04 -1.24 -0.99 113.70 113.77 3mks s SER 653 Ca 0.00 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 55.46 3mks s SER 653 Cb 0.00 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 3mks s SER 653 CO 0.00 -0.13 -0.10 -0.63 0.98 0.00 0.00 173.24 173.36 3mks s ILE 654 N -2.75 3.39 -0.04 -1.02 1.09 -0.58 -1.07 121.20 120.22 3mks s ILE 654 Ca 0.21 -0.58 0.05 0.00 -1.10 0.00 0.00 60.65 59.23 3mks s ILE 654 Cb -0.02 -2.39 -0.02 0.00 -1.06 0.00 0.00 42.46 38.97 3mks s ILE 654 CO 0.07 0.57 -0.18 -0.13 -0.10 0.00 0.00 174.94 175.17 3mks s ARG 655 N -0.39 2.36 -0.03 2.79 1.81 0.01 -1.31 118.95 124.20 3mks s ARG 655 Ca 0.05 -0.78 0.04 0.00 -1.72 0.00 0.00 55.73 53.32 3mks s ARG 655 Cb -0.12 -2.27 -0.00 0.00 -0.45 0.00 0.00 34.95 32.10 3mks s ARG 655 CO 0.02 0.60 -0.14 0.20 -0.68 0.00 0.00 175.30 175.30 3mks s GLY 656 N -0.75 0.78 0.16 -3.53 0.00 -0.28 -1.25 107.32 102.47 3mks s GLY 656 Ca 0.11 -0.58 0.10 0.00 0.00 0.00 0.00 44.72 44.36 3mks s GLY 656 CO 0.00 -0.31 -0.21 -0.98 0.00 0.00 0.00 173.10 171.60 3mks s TRP 657 N 0.02 2.40 0.36 1.90 0.51 -0.12 -0.28 118.94 123.73 3mks s TRP 657 Ca -0.02 -0.33 -0.28 0.00 -2.12 0.00 0.00 56.10 53.36 3mks s TRP 657 Cb -0.10 -1.22 -0.10 0.00 -0.81 0.00 0.00 33.47 31.24 3mks s TRP 657 CO 0.01 0.44 1.33 0.34 -0.51 0.00 0.00 176.95 178.56 3mks s ASP 658 N -2.46 6.56 0.00 2.95 2.15 -0.16 -0.15 116.67 125.57 3mks s ASP 658 Ca 0.19 2.72 0.30 0.00 0.43 0.00 0.00 52.55 56.19 3mks s ASP 658 Cb -0.09 -2.65 1.63 0.00 -0.30 0.00 0.00 42.92 41.51 3mks s ASP 658 CO 0.10 -0.68 2.07 0.00 -0.17 0.00 0.00 175.17 176.48 3mks n ALA 659 N 0.52 2.52 -0.05 3.66 0.00 -0.56 -0.25 120.51 126.35 3mks n ALA 659 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 3mks n ALA 659 Cb 0.42 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 3mks n ALA 659 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mks n ASN 660 N -1.15 1.57 -0.13 0.00 2.85 -1.26 -4.69 115.26 112.45 3mks n ASN 660 Ca 0.18 0.07 0.01 0.00 -0.11 0.00 0.00 54.58 54.73 3mks n ASN 660 Cb 0.17 -0.27 0.03 0.00 1.24 0.00 0.00 39.78 40.95 3mks n ASN 660 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3mks n ASP 661 N -3.27 1.97 -2.13 1.20 3.85 -1.25 -5.01 116.55 111.91 3mks n ASP 661 Ca -0.21 -1.80 -0.18 0.00 -0.71 0.00 0.00 54.79 51.89 3mks n ASP 661 Cb 0.67 -0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 40.37 3mks n ASP 661 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3mks n TYR 662 N -0.19 -0.81 -1.35 2.11 4.02 0.65 -4.91 117.16 116.67 3mks n TYR 662 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.60 3mks n TYR 662 Cb 0.24 -3.46 0.09 0.00 -0.02 0.00 0.00 39.34 36.18 3mks n TYR 662 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3mks s SER 663 N -2.20 4.52 0.13 7.72 1.04 -1.26 -4.59 113.70 119.06 3mks s SER 663 Ca 0.00 1.92 -0.31 0.00 0.48 0.00 0.00 55.95 58.04 3mks s SER 663 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.51 3mks s SER 663 CO 0.00 -2.02 1.35 -0.13 0.98 0.00 0.00 173.24 173.42 3mks s ARG 664 N -4.62 4.35 0.00 4.02 0.52 -1.26 -0.99 118.95 120.96 3mks s ARG 664 Ca 0.64 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.89 3mks s ARG 664 Cb -0.19 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.03 3mks s ARG 664 CO 0.52 -0.38 0.00 1.63 0.02 0.00 0.00 175.30 177.09 3mks n LYS 665 N 3.69 0.00 -3.54 3.54 4.76 0.61 -4.86 118.16 122.36 3mks n LYS 665 Ca 0.10 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.37 3mks n LYS 665 Cb 0.43 -0.96 -0.06 0.00 -1.84 0.00 0.00 35.03 32.59 3mks n LYS 665 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3mks s PHE 666 N -1.93 -0.61 -0.02 2.13 -0.12 -0.73 -4.96 117.98 111.73 3mks s PHE 666 Ca 0.00 1.02 0.01 0.00 -0.05 0.00 0.00 56.93 57.91 3mks s PHE 666 Cb 0.00 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.79 3mks s PHE 666 CO 0.00 -0.60 -0.05 -1.12 -0.05 0.00 0.00 175.22 173.40 3mks s SER 667 N -1.27 0.76 0.03 1.98 0.01 -1.26 -1.12 113.70 112.83 3mks s SER 667 Ca -0.11 -0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.11 3mks s SER 667 Cb -0.00 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 3mks s SER 667 CO 0.09 -0.00 -0.18 -0.31 0.41 0.00 0.00 173.24 173.24 3mks s TYR 668 N 0.47 1.59 -0.05 2.43 1.51 -0.43 -4.99 117.35 117.88 3mks s TYR 668 Ca -0.06 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 3mks s TYR 668 Cb -0.09 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 3mks s TYR 668 CO -0.00 0.06 -0.15 -1.01 -1.11 0.00 0.00 175.55 173.33 3mks s HIS 669 N -0.75 1.57 -0.04 2.71 3.76 -1.26 -1.52 115.29 119.76 3mks s HIS 669 Ca 0.06 -0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 3mks s HIS 669 Cb -0.08 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 3mks s HIS 669 CO 0.01 -0.19 1.29 -1.01 -0.85 0.00 0.00 174.74 173.99 3mks s HIS 670 N 0.22 3.03 0.31 1.40 3.76 -0.17 -4.90 115.29 118.95 3mks s HIS 670 Ca -0.07 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.88 3mks s HIS 670 Cb -0.12 -3.53 0.52 0.00 1.11 0.00 0.00 32.58 30.56 3mks s HIS 670 CO 0.03 -1.81 1.95 1.79 -0.85 0.00 0.00 174.74 175.84 3mks h THR 671 N 5.00 1.13 -4.00 1.30 1.35 -1.97 -3.37 112.91 112.35 3mks h THR 671 Ca -0.35 -0.35 -0.52 0.00 -0.55 0.00 0.00 66.41 64.63 3mks h THR 671 Cb 1.17 0.01 0.08 0.00 -1.73 0.00 0.00 68.15 67.67 3mks h THR 671 CO 0.89 0.19 0.53 0.20 -0.25 0.00 0.00 175.52 177.08 3mks s ASN 672 N -6.18 6.01 -0.00 5.36 0.02 -1.26 -4.83 114.94 114.06 3mks s ASN 672 Ca -0.11 2.45 -0.01 0.00 -1.02 0.00 0.00 52.86 54.17 3mks s ASN 672 Cb 0.19 -2.61 -0.04 0.00 0.02 0.00 0.00 41.25 38.80 3mks s ASN 672 CO 0.79 -1.04 2.25 0.18 0.02 0.00 0.00 177.10 179.30 3mks n LEU 673 N -0.50 5.34 -4.65 0.60 4.32 -1.26 -4.88 117.00 115.96 3mks n LEU 673 Ca 0.07 -2.53 -0.43 0.00 -0.02 0.00 0.00 56.01 53.10 3mks n LEU 673 Cb 0.47 -1.17 -0.02 0.00 -1.62 0.00 0.00 43.42 41.07 3mks n LEU 673 CO 0.50 1.12 1.01 -0.94 -1.22 0.00 0.00 177.39 177.86 3mks s SER 674 N 1.99 6.97 -0.49 -1.43 1.04 -1.26 -4.25 113.70 116.27 3mks s SER 674 Ca 0.10 1.44 -0.47 0.00 0.48 0.00 0.00 55.95 57.50 3mks s SER 674 Cb 0.05 -2.54 -0.20 0.00 0.10 0.00 0.00 66.02 63.43 3mks s SER 674 CO -0.00 -0.78 1.59 0.00 0.98 0.00 0.00 173.24 175.03 3mks n ALA 675 N 6.66 -1.40 -2.09 5.32 0.00 -1.26 -4.33 120.51 123.41 3mks n ALA 675 Ca 0.13 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.65 3mks n ALA 675 Cb 0.46 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 3mks n ALA 675 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mks s ILE 676 N 2.94 3.26 -0.12 0.00 -1.09 -1.26 -4.22 121.20 120.72 3mks s ILE 676 Ca 1.05 0.79 0.20 0.00 -2.23 0.00 0.00 60.65 60.45 3mks s ILE 676 Cb -1.49 -3.51 -0.24 0.00 -1.58 0.00 0.00 42.46 35.64 3mks s ILE 676 CO 0.81 0.02 0.47 0.41 -1.23 0.00 0.00 174.94 175.43 3mks n THR 677 N 4.39 0.74 -3.60 2.92 -1.04 -0.17 -4.91 114.28 112.61 3mks n THR 677 Ca 0.14 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.05 61.40 3mks n THR 677 Cb 0.42 -0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.54 3mks n THR 677 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3mks s THR 678 N -3.06 0.00 0.16 12.58 -1.32 -1.19 -4.87 115.64 117.94 3mks s THR 678 Ca -0.07 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.27 3mks s THR 678 Cb 0.10 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.11 3mks s THR 678 CO 0.85 0.00 0.40 0.72 -2.21 0.00 0.00 174.62 174.39 3mks s PHE 679 N -0.71 0.01 0.04 9.09 -0.12 -1.26 -0.25 117.98 124.78 3mks s PHE 679 Ca 0.01 -0.36 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 3mks s PHE 679 Cb -0.02 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 3mks s PHE 679 CO -0.03 -0.78 -0.04 -0.47 -0.05 0.00 0.00 175.22 173.85 3mks s TYR 680 N -3.88 0.44 0.08 3.49 5.04 -0.19 -4.81 117.35 117.52 3mks s TYR 680 Ca 0.09 -0.65 -0.01 0.00 -2.44 0.00 0.00 57.07 54.06 3mks s TYR 680 Cb 0.01 -0.30 -0.04 0.00 0.35 0.00 0.00 41.96 41.99 3mks s TYR 680 CO -0.05 -0.20 0.01 0.14 -1.34 0.00 0.00 175.55 174.10 3mks s VAL 681 N -2.06 0.18 0.33 3.14 -7.23 -1.26 -0.37 120.40 113.13 3mks s VAL 681 Ca -0.08 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3mks s VAL 681 Cb -0.06 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 3mks s VAL 681 CO -0.03 -0.83 0.37 -0.94 -0.31 0.00 0.00 175.10 173.36 3mks s SER 682 N -2.96 1.17 0.60 4.85 1.04 -0.28 -4.89 113.70 113.23 3mks s SER 682 Ca 0.12 -1.59 0.28 0.00 0.48 0.00 0.00 55.95 55.25 3mks s SER 682 Cb 0.08 0.60 1.40 0.00 0.10 0.00 0.00 66.02 68.19 3mks s SER 682 CO -0.06 -1.16 1.81 0.44 0.98 0.00 0.00 173.24 175.24 3mks h ASP 683 N 2.16 0.00 0.06 7.02 3.32 -1.95 -2.93 116.42 124.10 3mks h ASP 683 Ca -0.27 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.42 3mks h ASP 683 Cb 1.24 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.72 3mks h ASP 683 CO 0.39 0.00 -2.31 0.59 -1.72 0.00 0.00 179.24 176.19 3mks n ASN 684 N -3.54 0.12 -3.84 6.45 3.02 -1.26 -4.74 115.26 111.47 3mks n ASN 684 Ca 0.09 0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.56 3mks n ASN 684 Cb 0.76 0.86 -0.14 0.00 -0.61 0.00 0.00 39.78 40.65 3mks n ASN 684 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mks s ILE 685 N -2.50 -0.01 -0.11 2.41 1.01 -1.11 -2.05 121.20 118.84 3mks s ILE 685 Ca -0.10 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3mks s ILE 685 Cb 0.06 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.42 3mks s ILE 685 CO 0.83 0.01 -0.14 -0.22 0.00 0.00 0.00 174.94 175.42 3mks s LEU 686 N 0.21 2.69 -0.09 2.97 2.96 -0.85 -1.13 118.68 125.45 3mks s LEU 686 Ca -0.01 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3mks s LEU 686 Cb -0.02 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 3mks s LEU 686 CO -0.01 0.20 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.31 3mks s VAL 687 N 0.12 1.90 0.01 1.68 1.01 0.50 -0.95 120.40 124.67 3mks s VAL 687 Ca -0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 3mks s VAL 687 Cb -0.15 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3mks s VAL 687 CO 0.05 0.53 0.00 -0.94 0.00 0.00 0.00 175.10 174.74 3mks s SER 688 N 0.29 0.15 0.07 3.32 1.04 -0.19 -1.02 113.70 117.36 3mks s SER 688 Ca -0.15 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 55.98 3mks s SER 688 Cb -0.17 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 3mks s SER 688 CO 0.07 -0.24 -0.10 -0.83 0.98 0.00 0.00 173.24 173.12 3mks s GLY 689 N -1.09 0.73 0.00 7.32 0.00 0.66 -0.56 107.32 114.38 3mks s GLY 689 Ca -0.12 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3mks s GLY 689 CO -0.00 -1.06 0.00 -1.14 0.00 0.00 0.00 173.10 170.89 3mks n SER 690 N 1.01 0.00 -4.66 1.64 3.41 -0.45 -1.00 113.62 113.57 3mks n SER 690 Ca -0.19 -0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 57.09 3mks n SER 690 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3mks n SER 690 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3mks s GLU 691 N -1.71 4.16 0.00 4.33 2.12 -1.26 -1.92 118.70 124.43 3mks s GLU 691 Ca 0.00 2.45 0.00 0.00 0.36 0.00 0.00 54.97 57.78 3mks s GLU 691 Cb 0.00 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.36 3mks s GLU 691 CO 0.00 -0.90 0.00 0.09 -0.54 0.00 0.00 175.26 173.91 3mks n ASN 692 N 7.15 -3.76 -3.90 -1.70 3.02 -0.22 -4.94 115.26 110.91 3mks n ASN 692 Ca 0.19 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.56 3mks n ASN 692 Cb 0.41 -1.94 -0.15 0.00 -0.61 0.00 0.00 39.78 37.49 3mks n ASN 692 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3mks s GLN 693 N -0.96 0.51 -0.22 3.52 0.74 -0.81 -4.90 119.66 117.55 3mks s GLN 693 Ca 0.00 -0.09 -0.04 0.00 0.05 0.00 0.00 55.36 55.29 3mks s GLN 693 Cb 0.00 -0.56 0.09 0.00 1.10 0.00 0.00 33.01 33.65 3mks s GLN 693 CO 0.00 -0.02 0.20 0.12 -0.55 0.00 0.00 175.29 175.05 3mks s PHE 694 N 0.51 -0.17 0.10 1.67 5.36 -1.26 -1.34 117.98 122.85 3mks s PHE 694 Ca -0.06 -0.02 0.07 0.00 -0.96 0.00 0.00 56.93 55.96 3mks s PHE 694 Cb -0.09 -0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 42.07 3mks s PHE 694 CO -0.00 -0.65 -0.11 -0.80 -1.46 0.00 0.00 175.22 172.20 3mks s ASN 695 N 2.28 4.34 -0.05 6.13 0.02 0.27 -4.39 114.94 123.54 3mks s ASN 695 Ca 0.07 -0.40 0.03 0.00 -1.02 0.00 0.00 52.86 51.53 3mks s ASN 695 Cb -0.16 -0.81 0.01 0.00 0.02 0.00 0.00 41.25 40.32 3mks s ASN 695 CO -0.17 0.18 -0.12 -0.63 0.02 0.00 0.00 177.10 176.38 3mks s ILE 696 N -1.20 1.08 0.07 0.60 1.01 -0.24 -1.02 121.20 121.50 3mks s ILE 696 Ca 0.21 -0.48 0.10 0.00 0.00 0.00 0.00 60.65 60.47 3mks s ILE 696 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3mks s ILE 696 CO 0.13 0.33 -0.27 -0.31 0.00 0.00 0.00 174.94 174.83 3mks s TYR 697 N 0.42 2.32 -0.49 3.97 2.02 -0.13 0.11 117.35 125.57 3mks s TYR 697 Ca -0.09 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 56.01 3mks s TYR 697 Cb -0.13 -1.34 0.05 0.00 -0.40 0.00 0.00 41.96 40.13 3mks s TYR 697 CO 0.02 0.20 0.63 1.21 -1.57 0.00 0.00 175.55 176.05 3mks s ASN 698 N -1.52 6.25 0.29 2.29 3.84 -0.07 -2.00 114.94 124.02 3mks s ASN 698 Ca 0.13 -0.75 0.25 0.00 0.21 0.00 0.00 52.86 52.69 3mks s ASN 698 Cb -0.10 -2.30 1.00 0.00 -0.55 0.00 0.00 41.25 39.30 3mks s ASN 698 CO 0.03 -0.87 1.75 -0.07 -2.79 0.00 0.00 177.10 175.15 3mks h LEU 699 N 9.73 0.00 0.09 3.21 4.07 -1.71 0.46 115.31 131.16 3mks h LEU 699 Ca -0.27 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.54 3mks h LEU 699 Cb 1.09 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.85 3mks h LEU 699 CO 0.95 0.00 -0.65 0.03 -1.08 0.00 0.00 178.44 177.68 3mks h ARG 700 N 0.00 0.29 0.00 1.13 3.08 -1.85 -3.36 114.38 113.66 3mks h ARG 700 Ca 0.00 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3mks h ARG 700 Cb 0.43 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3mks h ARG 700 CO 0.00 1.17 -0.85 -1.13 -1.07 0.00 0.00 179.97 178.09 3mks n SER 701 N -4.22 0.63 -0.23 7.04 3.41 -1.10 -4.98 113.62 114.16 3mks n SER 701 Ca -0.12 -0.17 -0.03 0.00 -0.26 0.00 0.00 58.87 58.29 3mks n SER 701 Cb 0.74 0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 3mks n SER 701 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mks n GLY 702 N 1.39 0.52 3.39 5.00 0.00 0.16 -5.02 105.19 110.62 3mks n GLY 702 Ca 0.03 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 3mks n GLY 702 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mks s LYS 703 N -2.63 1.52 0.05 1.61 -0.14 -1.17 -4.93 119.74 114.05 3mks s LYS 703 Ca 0.00 -1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 53.02 3mks s LYS 703 Cb 0.00 -1.93 -0.08 0.00 -1.68 0.00 0.00 37.83 34.14 3mks s LYS 703 CO 0.00 0.47 1.66 -1.17 -0.76 0.00 0.00 175.35 175.54 3mks s LEU 704 N -1.87 4.36 -0.16 3.17 0.20 -1.26 -0.89 118.68 122.22 3mks s LEU 704 Ca 0.14 2.45 0.13 0.00 0.69 0.00 0.00 54.13 57.54 3mks s LEU 704 Cb -0.10 -3.56 -0.24 0.00 -0.43 0.00 0.00 46.19 41.87 3mks s LEU 704 CO 0.05 -0.89 0.21 0.52 -0.29 0.00 0.00 176.35 175.95 3mks n VAL 705 N 4.85 1.48 -3.67 1.68 0.31 0.30 -4.91 118.33 118.38 3mks n VAL 705 Ca 0.16 -0.80 -0.08 0.00 -0.01 0.00 0.00 64.34 63.61 3mks n VAL 705 Cb 0.41 -0.79 -0.09 0.00 -0.91 0.00 0.00 33.84 32.46 3mks n VAL 705 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3mks s HIS 706 N -2.53 -0.85 -0.30 3.52 3.76 -1.10 -4.35 115.29 113.45 3mks s HIS 706 Ca -0.12 1.65 0.05 0.00 -0.15 0.00 0.00 55.06 56.49 3mks s HIS 706 Cb 0.07 0.41 -0.04 0.00 1.11 0.00 0.00 32.58 34.12 3mks s HIS 706 CO 0.80 -0.47 0.27 0.00 -0.85 0.00 0.00 174.74 174.49 3mks n ALA 707 N 4.93 2.65 0.01 -1.40 0.00 -1.26 -1.08 120.51 124.36 3mks n ALA 707 Ca -0.15 -0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.11 3mks n ALA 707 Cb 0.52 -0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 3mks n ALA 707 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mks n ASN 708 N -0.96 0.62 -0.06 0.00 0.23 -1.26 -4.56 115.26 109.28 3mks n ASN 708 Ca 0.01 0.27 -0.00 0.00 -0.53 0.00 0.00 54.58 54.33 3mks n ASN 708 Cb 0.09 0.55 0.28 0.00 -2.08 0.00 0.00 39.78 38.62 3mks n ASN 708 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3mks h ILE 709 N 0.00 1.19 -1.35 1.53 2.04 -1.86 -2.90 117.51 116.16 3mks h ILE 709 Ca -0.18 -0.66 -0.50 0.00 1.00 0.00 0.00 64.86 64.52 3mks h ILE 709 Cb 1.55 0.71 -0.41 0.00 -0.74 0.00 0.00 36.82 37.93 3mks h ILE 709 CO 0.03 0.24 -0.91 0.18 0.00 0.00 0.00 178.15 177.70 3mks n LEU 710 N -4.32 3.43 -0.13 1.44 4.32 -1.26 -4.91 117.00 115.57 3mks n LEU 710 Ca 0.03 -4.66 -0.06 0.00 -0.02 0.00 0.00 56.01 51.30 3mks n LEU 710 Cb 0.19 -0.11 0.12 0.00 -1.62 0.00 0.00 43.42 41.99 3mks n LEU 710 CO 0.38 1.99 0.85 0.07 -1.22 0.00 0.00 177.39 179.46 3mks h LYS 711 N 2.75 0.86 0.00 3.23 2.10 -1.82 -2.77 116.57 120.92 3mks h LYS 711 Ca 0.14 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 3mks h LYS 711 Cb 1.01 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 3mks h LYS 711 CO 0.71 0.88 0.00 -0.40 -2.00 0.00 0.00 179.45 178.64 3mks n ASP 712 N -4.19 0.00 -4.82 7.07 5.75 -1.26 -4.70 116.55 114.40 3mks n ASP 712 Ca 0.02 -0.18 -0.37 0.00 -0.01 0.00 0.00 54.79 54.25 3mks n ASP 712 Cb 0.33 -0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 3mks n ASP 712 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mks s ALA 713 N -2.31 3.70 -0.08 2.12 0.00 -1.05 -4.85 121.76 119.30 3mks s ALA 713 Ca 0.18 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.58 3mks s ALA 713 Cb 0.10 -2.31 -0.17 0.00 0.00 0.00 0.00 23.12 20.74 3mks s ALA 713 CO 0.20 0.40 0.78 -0.44 0.00 0.00 0.00 175.76 176.70 3mks h ASP 714 N 5.28 -0.10 -4.25 0.00 3.32 -0.72 -3.36 116.42 116.59 3mks h ASP 714 Ca -0.50 -0.48 -0.59 0.00 0.02 0.00 0.00 57.03 55.49 3mks h ASP 714 Cb 1.21 0.03 -0.25 0.00 0.22 0.00 0.00 39.33 40.54 3mks h ASP 714 CO 0.64 0.55 -0.84 -1.10 -1.72 0.00 0.00 179.24 176.77 3mks s GLN 715 N -2.98 1.36 -0.31 3.56 -1.52 -1.02 -1.06 119.66 117.68 3mks s GLN 715 Ca -0.13 -1.02 -0.03 0.00 -1.95 0.00 0.00 55.36 52.24 3mks s GLN 715 Cb -0.00 -1.53 0.05 0.00 -0.22 0.00 0.00 33.01 31.31 3mks s GLN 715 CO 0.49 0.38 0.03 0.42 -0.25 0.00 0.00 175.29 176.36 3mks s ILE 716 N -0.89 3.16 -0.07 1.08 -1.09 -1.26 -0.51 121.20 121.62 3mks s ILE 716 Ca 0.08 -1.37 0.01 0.00 -2.23 0.00 0.00 60.65 57.14 3mks s ILE 716 Cb -0.09 -2.83 -0.25 0.00 -1.58 0.00 0.00 42.46 37.70 3mks s ILE 716 CO 0.02 -0.15 0.56 -0.50 -1.23 0.00 0.00 174.94 173.64 3mks h TRP 717 N 8.04 0.29 -2.29 3.97 -0.00 -0.94 -3.41 115.95 121.62 3mks h TRP 717 Ca -0.21 -0.21 -0.07 0.00 -0.00 0.00 0.00 58.89 58.39 3mks h TRP 717 Cb 1.06 -0.01 -0.21 0.00 -0.00 0.00 0.00 29.16 30.00 3mks h TRP 717 CO 0.61 1.42 0.02 0.45 -0.00 0.00 0.00 178.44 180.93 3mks s SER 718 N -6.67 -0.59 -0.04 -3.49 0.15 -1.00 -4.74 113.70 97.33 3mks s SER 718 Ca -0.13 0.94 -0.02 0.00 0.70 0.00 0.00 55.95 57.44 3mks s SER 718 Cb 0.07 0.93 0.02 0.00 -1.71 0.00 0.00 66.02 65.33 3mks s SER 718 CO 0.80 -0.35 0.09 0.54 1.20 0.00 0.00 173.24 175.52 3mks s VAL 719 N -0.31 -0.03 -0.05 4.45 0.11 -1.26 0.69 120.40 124.01 3mks s VAL 719 Ca -0.05 0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 59.01 3mks s VAL 719 Cb -0.03 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 3mks s VAL 719 CO 0.04 0.04 0.23 0.21 -3.33 0.00 0.00 175.10 172.29 3mks s ASN 720 N 0.61 -0.16 0.05 3.54 3.84 -0.06 -4.41 114.94 118.35 3mks s ASN 720 Ca -0.05 0.20 -0.11 0.00 0.21 0.00 0.00 52.86 53.12 3mks s ASN 720 Cb -0.07 0.38 0.01 0.00 -0.55 0.00 0.00 41.25 41.02 3mks s ASN 720 CO -0.02 -0.25 0.23 0.72 -2.79 0.00 0.00 177.10 174.98 3mks s PHE 721 N -0.65 0.02 -0.20 0.43 -0.12 -1.26 -0.09 117.98 116.11 3mks s PHE 721 Ca -0.07 -0.26 -0.14 0.00 -0.05 0.00 0.00 56.93 56.41 3mks s PHE 721 Cb -0.04 0.01 0.06 0.00 -0.63 0.00 0.00 43.02 42.41 3mks s PHE 721 CO 0.02 -0.48 0.51 0.21 -0.05 0.00 0.00 175.22 175.43 3mks s LYS 722 N -2.82 0.54 0.39 1.99 2.36 -0.31 -5.00 119.74 116.89 3mks s LYS 722 Ca -0.03 0.86 0.00 0.00 -2.55 0.00 0.00 55.97 54.25 3mks s LYS 722 Cb 0.00 0.12 0.00 0.00 -1.05 0.00 0.00 37.83 36.91 3mks s LYS 722 CO -0.05 -0.13 0.00 0.41 1.55 0.00 0.00 175.35 177.13 3mks n GLY 723 N 3.76 2.02 0.21 5.54 0.00 -1.26 -1.31 105.19 114.14 3mks n GLY 723 Ca -0.19 0.46 0.12 0.00 0.00 0.00 0.00 46.02 46.41 3mks n GLY 723 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3mks h LYS 724 N 0.00 0.00 -5.75 1.61 2.10 -1.94 -3.46 116.57 109.13 3mks h LYS 724 Ca 0.00 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.99 3mks h LYS 724 Cb 0.00 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.25 3mks h LYS 724 CO 0.00 0.00 -0.51 0.99 -2.00 0.00 0.00 179.45 177.93 3mks s THR 725 N -3.21 5.26 -0.03 0.07 2.01 -0.43 -1.17 115.64 118.14 3mks s THR 725 Ca 0.07 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.09 3mks s THR 725 Cb 0.06 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.26 3mks s THR 725 CO 0.66 0.53 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.88 3mks s LEU 726 N -1.27 1.34 0.05 4.42 2.96 -0.02 -1.16 118.68 125.01 3mks s LEU 726 Ca 0.18 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 3mks s LEU 726 Cb -0.12 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 3mks s LEU 726 CO 0.08 -0.06 -0.16 0.68 -1.32 0.00 0.00 176.35 175.57 3mks s VAL 727 N 0.83 1.27 -0.04 1.68 -7.23 0.87 -0.34 120.40 117.44 3mks s VAL 727 Ca -0.10 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 3mks s VAL 727 Cb -0.13 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.68 3mks s VAL 727 CO -0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.75 3mks s ALA 728 N -0.94 0.59 -0.25 1.32 0.00 -0.36 -0.88 121.76 121.23 3mks s ALA 728 Ca 0.03 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.73 3mks s ALA 728 Cb -0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3mks s ALA 728 CO 0.02 -0.00 0.76 0.00 0.00 0.00 0.00 175.76 176.54 3mks s ALA 729 N 0.83 3.63 0.31 0.00 0.00 0.22 -1.19 121.76 125.55 3mks s ALA 729 Ca -0.10 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.63 3mks s ALA 729 Cb -0.13 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 3mks s ALA 729 CO -0.00 -0.92 0.05 0.14 0.00 0.00 0.00 175.76 175.03 3mks s VAL 730 N 2.74 1.16 -0.09 0.00 -7.23 -0.86 -0.21 120.40 115.91 3mks s VAL 730 Ca 0.32 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 3mks s VAL 730 Cb -0.15 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.06 3mks s VAL 730 CO 0.08 -0.04 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.93 3mks s GLU 731 N -3.89 2.60 -0.06 4.82 2.12 0.33 -1.39 118.70 123.23 3mks s GLU 731 Ca 0.36 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.99 3mks s GLU 731 Cb 0.08 -2.02 0.01 0.00 0.26 0.00 0.00 34.13 32.47 3mks s GLU 731 CO 0.15 0.11 -0.13 0.15 -0.54 0.00 0.00 175.26 175.00 3mks s LYS 732 N 0.49 1.76 -1.39 4.30 1.02 0.30 -0.02 119.74 126.20 3mks s LYS 732 Ca -0.17 -0.45 -0.08 0.00 0.02 0.00 0.00 55.97 55.30 3mks s LYS 732 Cb -0.17 -1.45 0.01 0.00 -0.52 0.00 0.00 37.83 35.69 3mks s LYS 732 CO 0.06 0.05 0.38 -0.25 -0.92 0.00 0.00 175.35 174.67 3mks n ASP 733 N 3.74 -1.09 -3.69 2.83 9.92 -1.26 0.62 116.55 127.62 3mks n ASP 733 Ca -0.22 -1.13 -0.25 0.00 -0.53 0.00 0.00 54.79 52.66 3mks n ASP 733 Cb 0.52 -2.46 0.06 0.00 -0.64 0.00 0.00 41.12 38.60 3mks n ASP 733 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mks n GLY 734 N -2.14 -0.46 3.33 0.44 0.00 -1.26 -5.02 105.19 100.08 3mks n GLY 734 Ca -0.26 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 3mks n GLY 734 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mks s GLN 735 N -6.22 0.61 0.17 1.61 0.74 0.20 -4.89 119.66 111.89 3mks s GLN 735 Ca 0.43 0.39 -0.17 0.00 0.05 0.00 0.00 55.36 56.06 3mks s GLN 735 Cb -0.20 0.29 -0.07 0.00 1.10 0.00 0.00 33.01 34.12 3mks s GLN 735 CO 0.78 -0.12 0.62 -1.54 -0.55 0.00 0.00 175.29 174.48 3mks s SER 736 N -0.28 6.93 0.12 6.67 1.04 -1.26 0.11 113.70 127.03 3mks s SER 736 Ca -0.04 1.22 -0.01 0.00 0.48 0.00 0.00 55.95 57.60 3mks s SER 736 Cb -0.03 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 3mks s SER 736 CO 0.02 0.09 0.03 -0.36 0.98 0.00 0.00 173.24 174.00 3mks s PHE 737 N -1.47 0.84 -0.10 5.02 0.08 -0.49 -1.72 117.98 120.14 3mks s PHE 737 Ca 0.39 -1.18 0.03 0.00 0.12 0.00 0.00 56.93 56.29 3mks s PHE 737 Cb -0.16 -0.49 -0.01 0.00 -0.57 0.00 0.00 43.02 41.80 3mks s PHE 737 CO 0.20 -0.46 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.49 3mks s LEU 738 N -3.04 2.32 -0.11 -0.37 2.96 0.70 -2.04 118.68 119.11 3mks s LEU 738 Ca 0.21 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3mks s LEU 738 Cb 0.07 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 3mks s LEU 738 CO -0.00 0.18 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.43 3mks s GLU 739 N 0.22 3.12 -0.22 1.98 0.41 -0.33 -1.35 118.70 122.53 3mks s GLU 739 Ca -0.13 -0.75 0.01 0.00 -0.41 0.00 0.00 54.97 53.69 3mks s GLU 739 Cb -0.16 -2.48 0.03 0.00 -1.78 0.00 0.00 34.13 29.74 3mks s GLU 739 CO 0.07 0.28 -0.14 0.42 -0.49 0.00 0.00 175.26 175.39 3mks s ILE 740 N 0.16 2.31 -0.15 -1.63 1.01 0.27 -1.23 121.20 121.94 3mks s ILE 740 Ca -0.09 -1.14 -0.04 0.00 0.00 0.00 0.00 60.65 59.37 3mks s ILE 740 Cb -0.15 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3mks s ILE 740 CO 0.06 0.30 0.00 -0.76 0.00 0.00 0.00 174.94 174.53 3mks s LEU 741 N 1.25 3.49 -0.07 2.97 1.43 0.54 -0.48 118.68 127.80 3mks s LEU 741 Ca -0.00 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3mks s LEU 741 Cb -0.16 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.23 3mks s LEU 741 CO -0.09 0.21 -0.11 -0.62 0.23 0.00 0.00 176.35 175.97 3mks s ASP 742 N 0.13 1.80 -0.13 2.29 -1.08 -0.86 -0.84 116.67 117.98 3mks s ASP 742 Ca 0.01 -0.29 0.15 0.00 -0.52 0.00 0.00 52.55 51.90 3mks s ASP 742 Cb -0.13 -0.81 0.42 0.00 -1.46 0.00 0.00 42.92 40.93 3mks s ASP 742 CO 0.02 0.01 1.32 0.49 0.52 0.00 0.00 175.17 177.53 3mks n PHE 743 N 3.98 0.64 0.12 -5.34 3.01 -0.32 -1.55 117.46 118.01 3mks n PHE 743 Ca -0.22 -0.81 0.01 0.00 1.01 0.00 0.00 57.45 57.45 3mks n PHE 743 Cb 0.51 -0.22 0.06 0.00 -0.01 0.00 0.00 39.48 39.82 3mks n PHE 743 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20