#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k93 s ILE 293 N 0.00 -0.09 -0.90 5.15 -4.36 -1.26 -5.10 121.20 114.64 1k93 s ILE 293 Ca 0.00 0.19 -0.24 0.00 -0.26 0.00 0.00 60.65 60.34 1k93 s ILE 293 Cb 0.00 -0.31 -0.19 0.00 1.25 0.00 0.00 42.46 43.21 1k93 s ILE 293 CO 0.00 0.08 2.16 -0.67 0.24 0.00 0.00 174.94 176.74 1k93 n ASP 294 N 4.41 1.13 -4.26 4.36 2.03 -1.26 -4.94 116.55 118.01 1k93 n ASP 294 Ca -0.23 -1.95 -0.25 0.00 0.52 0.00 0.00 54.79 52.89 1k93 n ASP 294 Cb 0.52 -1.57 -0.13 0.00 -0.72 0.00 0.00 41.12 39.21 1k93 n ASP 294 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1k93 s VAL 295 N 14.48 1.67 0.72 5.18 0.11 -1.26 -4.50 120.40 136.80 1k93 s VAL 295 Ca 0.83 -1.32 -0.11 0.00 -2.93 0.00 0.00 61.98 58.45 1k93 s VAL 295 Cb -0.12 -1.48 0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1k93 s VAL 295 CO 0.16 0.10 1.07 -0.76 -3.33 0.00 0.00 175.10 172.34 1k93 s LEU 296 N -1.45 3.12 0.08 2.54 1.43 -0.96 -4.89 118.68 118.55 1k93 s LEU 296 Ca 0.07 1.70 -0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1k93 s LEU 296 Cb -0.09 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.59 1k93 s LEU 296 CO 0.03 -1.63 0.05 -0.54 0.23 0.00 0.00 176.35 174.49 1k93 s LYS 297 N -4.94 0.75 0.00 1.70 1.02 -1.26 -2.55 119.74 114.47 1k93 s LYS 297 Ca 0.59 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1k93 s LYS 297 Cb -0.15 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1k93 s LYS 297 CO 0.54 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 1k93 n GLY 298 N 0.02 0.53 0.00 -3.33 0.00 -0.85 -2.76 105.19 98.79 1k93 n GLY 298 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1k93 n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k93 n GLU 299 N 0.00 0.00 -0.18 1.61 4.07 -1.26 0.18 120.64 125.06 1k93 n GLU 299 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 1k93 n GLU 299 Cb 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.47 1k93 n GLU 299 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1k93 h LYS 300 N 0.00 0.27 -0.04 5.31 1.57 -1.97 -0.13 116.57 121.58 1k93 h LYS 300 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1k93 h LYS 300 Cb 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1k93 h LYS 300 CO 0.00 0.18 0.02 0.00 -0.57 0.00 0.00 179.45 179.08 1k93 h ALA 301 N 1.42 0.05 -0.78 3.86 0.00 0.21 -2.39 119.26 121.62 1k93 h ALA 301 Ca 0.28 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1k93 h ALA 301 Cb 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1k93 h ALA 301 CO -0.34 -0.40 0.41 1.25 0.00 0.00 0.00 179.25 180.17 1k93 h LEU 302 N -0.05 0.54 -0.54 0.00 5.85 -1.06 -1.54 115.31 118.51 1k93 h LEU 302 Ca 0.01 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1k93 h LEU 302 Cb 0.11 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1k93 h LEU 302 CO -0.00 0.29 0.18 0.50 -0.34 0.00 0.00 178.44 179.07 1k93 h LYS 303 N 0.67 0.34 0.00 1.25 3.64 -0.71 -1.96 116.57 119.80 1k93 h LYS 303 Ca 0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1k93 h LYS 303 Cb 0.43 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1k93 h LYS 303 CO -0.28 0.23 0.00 0.00 -2.27 0.00 0.00 179.45 177.12 1k93 h ALA 304 N 1.37 1.00 -0.21 5.00 0.00 -0.82 -3.32 119.26 122.29 1k93 h ALA 304 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1k93 h ALA 304 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1k93 h ALA 304 CO -0.28 0.00 -0.48 0.66 0.00 0.00 0.00 179.25 179.15 1k93 h SER 305 N 0.00 0.59 0.00 0.00 4.64 -0.50 -3.46 113.55 114.82 1k93 h SER 305 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1k93 h SER 305 Cb 0.71 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1k93 h SER 305 CO 0.00 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 1k93 n GLY 306 N 0.12 1.52 3.79 -0.77 0.00 -1.22 -2.23 105.19 106.40 1k93 n GLY 306 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1k93 n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k93 s LEU 307 N 0.00 3.47 0.14 0.99 1.02 -1.26 -4.39 118.68 118.65 1k93 s LEU 307 Ca 0.00 1.86 -0.30 0.00 0.02 0.00 0.00 54.13 55.71 1k93 s LEU 307 Cb 0.00 -4.54 -0.08 0.00 0.02 0.00 0.00 46.19 41.60 1k93 s LEU 307 CO 0.00 -1.29 1.27 -0.69 0.02 0.00 0.00 176.35 175.66 1k93 s VAL 308 N -2.43 3.53 0.16 -1.59 1.01 -1.26 -4.90 120.40 114.92 1k93 s VAL 308 Ca 0.64 1.19 -0.23 0.00 0.00 0.00 0.00 61.98 63.58 1k93 s VAL 308 Cb -0.17 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1k93 s VAL 308 CO 0.38 0.14 1.60 -0.65 0.00 0.00 0.00 175.10 176.57 1k93 h PRO 309 N 6.00 -0.25 -0.62 2.72 0.11 -1.95 -1.39 132.00 136.62 1k93 h PRO 309 Ca -0.43 0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.82 1k93 h PRO 309 Cb 1.21 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1k93 h PRO 309 CO 0.79 -0.17 0.11 0.93 -0.21 0.00 0.00 178.00 179.45 1k93 h GLU 310 N -0.26 0.22 -0.22 1.05 3.07 -2.00 -2.00 114.58 114.44 1k93 h GLU 310 Ca 0.17 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1k93 h GLU 310 Cb 0.54 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1k93 h GLU 310 CO -0.53 0.15 0.10 0.45 -1.40 0.00 0.00 179.01 177.77 1k93 h HIS 311 N 0.23 0.18 -0.10 4.33 3.86 -1.71 -2.12 115.15 119.81 1k93 h HIS 311 Ca 0.33 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1k93 h HIS 311 Cb 0.51 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1k93 h HIS 311 CO -0.27 0.10 0.02 0.00 0.86 0.00 0.00 177.93 178.64 1k93 h ALA 312 N 1.12 1.85 -0.31 2.45 0.00 -0.59 -1.59 119.26 122.19 1k93 h ALA 312 Ca 0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1k93 h ALA 312 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1k93 h ALA 312 CO -0.07 0.12 -0.19 -0.44 0.00 0.00 0.00 179.25 178.67 1k93 h ASP 313 N 0.14 0.70 0.12 0.00 3.45 -0.85 -1.80 116.42 118.18 1k93 h ASP 313 Ca 0.04 -0.43 -0.02 0.00 0.43 0.00 0.00 57.03 57.05 1k93 h ASP 313 Cb 0.07 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 38.64 1k93 h ASP 313 CO -0.00 0.98 -0.08 0.00 -1.57 0.00 0.00 179.24 178.56 1k93 h ALA 314 N 0.74 1.70 0.00 3.45 0.00 -0.75 -0.79 119.26 123.62 1k93 h ALA 314 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1k93 h ALA 314 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1k93 h ALA 314 CO 0.05 0.10 -0.49 0.74 0.00 0.00 0.00 179.25 179.66 1k93 h PHE 315 N 0.00 0.00 -0.93 0.00 0.05 -0.76 -3.07 116.94 112.24 1k93 h PHE 315 Ca -0.00 0.00 0.03 0.00 3.82 0.00 0.00 57.97 61.82 1k93 h PHE 315 Cb 0.16 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.06 1k93 h PHE 315 CO 0.00 0.49 0.61 0.87 -0.18 0.00 0.00 178.31 180.10 1k93 h LYS 316 N 0.00 1.13 0.28 1.51 1.57 -0.30 -2.25 116.57 118.51 1k93 h LYS 316 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1k93 h LYS 316 Cb 1.23 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1k93 h LYS 316 CO 0.06 0.75 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.30 1k93 h LYS 317 N 1.17 -0.40 -0.86 3.15 3.64 -1.52 -2.68 116.57 119.06 1k93 h LYS 317 Ca 0.37 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.97 1k93 h LYS 317 Cb 0.01 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1k93 h LYS 317 CO -0.11 -0.27 0.58 0.82 -2.27 0.00 0.00 179.45 178.20 1k93 h ILE 318 N -0.42 0.69 0.72 2.00 5.03 -1.58 -0.68 117.51 123.27 1k93 h ILE 318 Ca -0.04 -0.12 -0.04 0.00 -0.12 0.00 0.00 64.86 64.54 1k93 h ILE 318 Cb 0.34 0.30 0.01 0.00 -3.03 0.00 0.00 36.82 34.43 1k93 h ILE 318 CO 0.04 0.07 -0.35 0.00 -0.68 0.00 0.00 178.15 177.23 1k93 h ALA 319 N 1.62 -0.97 0.01 1.87 0.00 -1.32 -1.78 119.26 118.68 1k93 h ALA 319 Ca 0.44 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1k93 h ALA 319 Cb 1.14 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1k93 h ALA 319 CO -0.15 -1.04 -0.26 0.00 0.00 0.00 0.00 179.25 177.80 1k93 h ARG 320 N -0.98 -0.39 0.29 0.00 3.08 -0.96 0.38 114.38 115.80 1k93 h ARG 320 Ca -0.10 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1k93 h ARG 320 Cb 0.75 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1k93 h ARG 320 CO 0.16 -0.26 -0.45 1.49 -1.07 0.00 0.00 179.97 179.84 1k93 h GLU 321 N -0.41 -0.75 0.00 0.04 4.81 -1.15 -2.49 114.58 114.64 1k93 h GLU 321 Ca 0.06 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1k93 h GLU 321 Cb 0.49 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1k93 h GLU 321 CO -0.22 -0.50 0.00 1.28 -0.73 0.00 0.00 179.01 178.84 1k93 n LEU 322 N -5.08 0.00 -3.68 1.64 4.77 -0.68 -4.93 117.00 109.04 1k93 n LEU 322 Ca -0.09 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.68 1k93 n LEU 322 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1k93 n LEU 322 CO 0.19 0.00 -0.16 -3.20 -1.33 0.00 0.00 177.39 172.89 1k93 n ASN 323 N -0.97 -5.28 -3.74 -1.43 4.05 0.13 -4.69 115.26 103.33 1k93 n ASN 323 Ca 0.22 -0.83 -0.13 0.00 0.45 0.00 0.00 54.58 54.29 1k93 n ASN 323 Cb 0.10 -2.20 -0.11 0.00 1.23 0.00 0.00 39.78 38.80 1k93 n ASN 323 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1k93 s THR 324 N -2.98 -0.01 0.06 -0.44 -1.32 -0.87 -2.81 115.64 107.27 1k93 s THR 324 Ca 0.00 0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 1k93 s THR 324 Cb -0.00 -0.52 -0.05 0.00 -1.51 0.00 0.00 72.50 70.43 1k93 s THR 324 CO 0.88 0.01 1.05 -0.31 -2.21 0.00 0.00 174.62 174.04 1k93 s TYR 325 N 0.44 3.61 -0.25 9.09 1.51 0.17 -4.09 117.35 127.83 1k93 s TYR 325 Ca -0.02 1.59 -0.03 0.00 -1.01 0.00 0.00 57.07 57.61 1k93 s TYR 325 Cb -0.04 -3.21 0.02 0.00 -0.11 0.00 0.00 41.96 38.62 1k93 s TYR 325 CO -0.02 -0.41 -0.04 0.42 -1.11 0.00 0.00 175.55 174.39 1k93 s ILE 326 N 0.70 3.08 -0.21 2.71 1.01 -0.04 -1.00 121.20 127.44 1k93 s ILE 326 Ca 0.53 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1k93 s ILE 326 Cb -0.25 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 1k93 s ILE 326 CO 0.29 0.19 -0.06 -0.76 0.00 0.00 0.00 174.94 174.60 1k93 s LEU 327 N 1.36 2.79 0.27 2.97 1.02 -0.94 -0.84 118.68 125.31 1k93 s LEU 327 Ca 0.01 -0.42 0.06 0.00 0.02 0.00 0.00 54.13 53.80 1k93 s LEU 327 Cb -0.17 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 1k93 s LEU 327 CO -0.03 -0.01 0.35 -0.36 0.02 0.00 0.00 176.35 176.32 1k93 s PHE 328 N 1.42 3.28 0.20 0.29 0.40 0.25 0.17 117.98 123.99 1k93 s PHE 328 Ca 0.05 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1k93 s PHE 328 Cb -0.14 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1k93 s PHE 328 CO -0.04 0.34 0.35 1.03 0.70 0.00 0.00 175.22 177.60 1k93 s ARG 329 N -4.00 3.47 0.26 0.44 0.52 0.01 -2.13 118.95 117.51 1k93 s ARG 329 Ca 0.37 -0.55 -0.27 0.00 -0.52 0.00 0.00 55.73 54.76 1k93 s ARG 329 Cb -0.09 -2.89 -0.15 0.00 0.52 0.00 0.00 34.95 32.34 1k93 s ARG 329 CO 0.29 0.44 0.71 -2.30 0.02 0.00 0.00 175.30 174.45 1k93 n PRO 330 N -0.89 0.60 -4.55 3.54 -0.02 -1.26 -4.64 135.00 127.78 1k93 n PRO 330 Ca -0.07 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.30 1k93 n PRO 330 Cb 0.55 -1.39 -0.16 0.00 -0.02 0.00 0.00 33.50 32.48 1k93 n PRO 330 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1k93 s VAL 331 N -1.09 2.42 -0.46 -1.45 1.01 -0.95 -4.87 120.40 115.02 1k93 s VAL 331 Ca 0.62 -0.85 -0.46 0.00 0.00 0.00 0.00 61.98 61.28 1k93 s VAL 331 Cb -0.80 -2.00 -0.20 0.00 0.00 0.00 0.00 36.38 33.38 1k93 s VAL 331 CO 0.58 0.53 1.56 -3.20 0.00 0.00 0.00 175.10 174.57 1k93 n ASN 332 N 4.10 1.13 0.22 3.32 2.85 -1.26 -4.32 115.26 121.29 1k93 n ASN 332 Ca -0.19 1.19 0.15 0.00 -0.11 0.00 0.00 54.58 55.61 1k93 n ASN 332 Cb 0.52 -0.89 0.60 0.00 1.24 0.00 0.00 39.78 41.25 1k93 n ASN 332 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1k93 h LYS 333 N 4.86 0.00 -0.01 1.20 1.57 -1.93 -0.88 116.57 121.38 1k93 h LYS 333 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1k93 h LYS 333 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1k93 h LYS 333 CO 0.95 0.00 -0.10 1.28 -0.57 0.00 0.00 179.45 181.01 1k93 n LEU 334 N -2.73 1.34 0.00 2.94 4.77 -1.26 -3.63 117.00 118.42 1k93 n LEU 334 Ca 0.01 -0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 55.56 1k93 n LEU 334 Cb 0.28 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 1k93 n LEU 334 CO 0.24 0.23 -0.46 0.00 -1.33 0.00 0.00 177.39 176.07 1k93 n ALA 335 N -0.12 1.86 -0.21 -1.18 0.00 -0.34 -4.33 120.51 116.19 1k93 n ALA 335 Ca 0.16 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 52.91 1k93 n ALA 335 Cb 0.36 -0.84 0.04 0.00 0.00 0.00 0.00 19.45 19.01 1k93 n ALA 335 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1k93 h THR 336 N 0.00 0.26 -0.17 0.00 2.02 -1.61 0.25 112.91 113.66 1k93 h THR 336 Ca -0.22 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 1k93 h THR 336 Cb 1.70 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1k93 h THR 336 CO 0.05 0.00 -0.35 0.78 0.37 0.00 0.00 175.52 176.37 1k93 h ASN 337 N -0.09 0.36 -0.08 4.18 -0.26 -1.82 -0.41 115.58 117.47 1k93 h ASN 337 Ca 0.28 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1k93 h ASN 337 Cb 0.52 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1k93 h ASN 337 CO -0.67 0.69 0.02 -0.07 -1.06 0.00 0.00 177.43 176.33 1k93 h LEU 338 N 0.30 0.11 -0.28 1.61 3.38 -1.33 0.24 115.31 119.35 1k93 h LEU 338 Ca 0.04 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1k93 h LEU 338 Cb 0.76 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1k93 h LEU 338 CO 0.06 0.29 -0.06 0.40 0.09 0.00 0.00 178.44 179.22 1k93 h ILE 339 N -0.08 0.73 -0.65 1.22 2.04 -0.31 -0.98 117.51 119.49 1k93 h ILE 339 Ca 0.02 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1k93 h ILE 339 Cb 0.22 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1k93 h ILE 339 CO -0.00 0.00 0.41 0.50 0.00 0.00 0.00 178.15 179.07 1k93 h LYS 340 N 0.01 0.80 0.00 2.37 3.64 -0.86 0.37 116.57 122.90 1k93 h LYS 340 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1k93 h LYS 340 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1k93 h LYS 340 CO -0.28 0.53 0.00 -1.13 -2.27 0.00 0.00 179.45 176.30 1k93 n SER 341 N -4.67 0.00 0.00 4.20 3.41 0.84 -4.79 113.62 112.61 1k93 n SER 341 Ca 0.06 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1k93 n SER 341 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1k93 n SER 341 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k93 n GLY 342 N -0.20 0.58 3.76 5.00 0.00 0.13 -4.97 105.19 109.49 1k93 n GLY 342 Ca 0.06 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1k93 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k93 s VAL 343 N -2.00 3.50 0.30 1.61 1.01 -0.44 -3.88 120.40 120.51 1k93 s VAL 343 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 1k93 s VAL 343 Cb 0.00 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1k93 s VAL 343 CO 0.00 0.28 1.50 0.00 0.00 0.00 0.00 175.10 176.89 1k93 s ALA 344 N -1.26 3.66 0.75 5.51 0.00 -1.25 -4.64 121.76 124.53 1k93 s ALA 344 Ca 0.47 1.47 -0.04 0.00 0.00 0.00 0.00 51.96 53.87 1k93 s ALA 344 Cb -0.30 -3.60 0.12 0.00 0.00 0.00 0.00 23.12 19.34 1k93 s ALA 344 CO 0.39 -0.89 0.80 0.25 0.00 0.00 0.00 175.76 176.30 1k93 n THR 345 N 1.80 0.00 -4.78 0.00 -2.24 -1.26 -1.72 114.28 106.08 1k93 n THR 345 Ca 0.06 -1.01 -0.33 0.00 -2.27 0.00 0.00 64.05 60.50 1k93 n THR 345 Cb 0.39 -1.21 -0.12 0.00 -2.10 0.00 0.00 70.33 67.28 1k93 n THR 345 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1k93 s LYS 346 N -4.58 2.60 0.29 -0.78 -2.85 -0.87 -4.61 119.74 108.93 1k93 s LYS 346 Ca 0.50 -0.64 -0.01 0.00 -1.00 0.00 0.00 55.97 54.83 1k93 s LYS 346 Cb -0.02 -2.46 0.06 0.00 -2.06 0.00 0.00 37.83 33.34 1k93 s LYS 346 CO 0.34 0.64 0.39 0.41 0.10 0.00 0.00 175.35 177.23 1k93 n GLY 347 N 2.26 0.58 0.19 0.59 0.00 -1.26 -4.67 105.19 102.88 1k93 n GLY 347 Ca -0.17 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.02 1k93 n GLY 347 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k93 h LEU 348 N 0.00 0.00 0.00 0.99 3.38 -1.84 -2.11 115.31 115.72 1k93 h LEU 348 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1k93 h LEU 348 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1k93 h LEU 348 CO 0.14 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.21 1k93 n ASN 349 N -2.54 0.00 -3.76 -0.43 2.04 -1.26 -4.49 115.26 104.82 1k93 n ASN 349 Ca 0.01 -0.71 -0.25 0.00 -0.44 0.00 0.00 54.58 53.19 1k93 n ASN 349 Cb 0.23 -0.02 -0.17 0.00 -2.53 0.00 0.00 39.78 37.29 1k93 n ASN 349 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1k93 s VAL 350 N -2.03 0.44 -1.23 3.53 1.01 -0.80 -4.70 120.40 116.62 1k93 s VAL 350 Ca 0.35 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.27 1k93 s VAL 350 Cb 0.16 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.87 1k93 s VAL 350 CO 0.28 0.07 0.80 1.41 0.00 0.00 0.00 175.10 177.66 1k93 n HIS 351 N 5.11 0.00 -2.19 5.22 8.25 -1.26 -4.68 115.22 125.66 1k93 n HIS 351 Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.99 1k93 n HIS 351 Cb 0.49 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 1k93 n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1k93 s GLY 352 N -0.89 2.90 0.69 -1.41 0.00 -1.26 -4.98 107.32 102.36 1k93 s GLY 352 Ca 0.11 1.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.80 1k93 s GLY 352 CO 0.14 1.62 1.07 0.54 0.00 0.00 0.00 173.10 176.47 1k93 s LYS 353 N -2.26 3.04 0.49 2.90 -0.14 -1.26 -4.97 119.74 117.53 1k93 s LYS 353 Ca 0.57 0.60 -0.03 0.00 -1.36 0.00 0.00 55.97 55.75 1k93 s LYS 353 Cb -0.34 -2.03 -0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1k93 s LYS 353 CO 0.43 -0.94 0.75 -1.54 -0.76 0.00 0.00 175.35 173.29 1k93 s SER 354 N -4.23 5.92 0.52 2.83 1.04 -1.26 -4.19 113.70 114.33 1k93 s SER 354 Ca 0.57 0.59 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 1k93 s SER 354 Cb -0.11 -1.82 -0.00 0.00 0.10 0.00 0.00 66.02 64.19 1k93 s SER 354 CO 0.53 -0.73 0.79 -0.55 0.98 0.00 0.00 173.24 174.26 1k93 s SER 355 N -4.19 5.77 0.00 7.02 0.15 -0.18 -1.97 113.70 120.30 1k93 s SER 355 Ca 0.49 0.57 0.08 0.00 0.70 0.00 0.00 55.95 57.78 1k93 s SER 355 Cb -0.10 -1.71 0.13 0.00 -1.71 0.00 0.00 66.02 62.63 1k93 s SER 355 CO 0.42 -0.86 1.00 -0.90 1.20 0.00 0.00 173.24 174.10 1k93 n ASP 356 N -2.34 0.25 -3.82 5.45 3.85 -1.26 -1.95 116.55 116.73 1k93 n ASP 356 Ca 0.03 -1.91 -0.07 0.00 -0.71 0.00 0.00 54.79 52.12 1k93 n ASP 356 Cb 0.57 -0.19 -0.02 0.00 -1.35 0.00 0.00 41.12 40.14 1k93 n ASP 356 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1k93 s TRP 357 N 0.00 -0.22 0.34 2.11 1.48 -1.26 -4.99 118.94 116.40 1k93 s TRP 357 Ca 0.10 -0.21 0.00 0.00 -1.06 0.00 0.00 56.10 54.93 1k93 s TRP 357 Cb 0.12 0.69 0.00 0.00 -1.16 0.00 0.00 33.47 33.12 1k93 s TRP 357 CO -0.05 -1.20 0.00 0.41 -4.06 0.00 0.00 176.95 172.05 1k93 n GLY 358 N -0.45 -2.11 0.37 3.67 0.00 -1.26 -2.81 105.19 102.60 1k93 n GLY 358 Ca -0.05 -1.19 0.19 0.00 0.00 0.00 0.00 46.02 44.97 1k93 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k93 h PRO 359 N -1.17 0.00 -0.54 1.61 0.13 -1.95 -1.17 132.00 128.92 1k93 h PRO 359 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1k93 h PRO 359 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1k93 h PRO 359 CO 0.02 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 179.34 1k93 n VAL 360 N -3.85 0.93 -1.67 1.56 3.14 -1.26 -4.95 118.33 112.23 1k93 n VAL 360 Ca 0.06 -0.66 -0.44 0.00 -2.96 0.00 0.00 64.34 60.34 1k93 n VAL 360 Cb 0.54 0.06 -0.02 0.00 -1.06 0.00 0.00 33.84 33.35 1k93 n VAL 360 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k93 n ALA 361 N 0.62 1.07 0.00 1.55 0.00 -0.44 -1.89 120.51 121.41 1k93 n ALA 361 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1k93 n ALA 361 Cb 0.51 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1k93 n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k93 n GLY 362 N 1.85 2.84 3.99 0.00 0.00 -0.82 -4.92 105.19 108.13 1k93 n GLY 362 Ca 0.10 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1k93 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k93 s TYR 363 N -2.01 1.55 -0.42 1.61 1.51 -0.79 -3.94 117.35 114.86 1k93 s TYR 363 Ca 0.00 -0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 55.72 1k93 s TYR 363 Cb 0.00 -3.03 0.09 0.00 -0.11 0.00 0.00 41.96 38.90 1k93 s TYR 363 CO 0.00 -1.76 0.25 0.42 -1.11 0.00 0.00 175.55 173.35 1k93 s ILE 364 N -3.18 4.03 0.21 2.71 -1.09 -1.25 -1.01 121.20 121.63 1k93 s ILE 364 Ca 0.67 -1.54 -0.30 0.00 -2.23 0.00 0.00 60.65 57.25 1k93 s ILE 364 Cb -0.05 -3.52 -0.08 0.00 -1.58 0.00 0.00 42.46 37.23 1k93 s ILE 364 CO 0.45 -0.54 1.06 -2.16 -1.23 0.00 0.00 174.94 172.52 1k93 s PRO 365 N 1.37 4.66 0.12 2.79 0.04 -1.26 -0.03 135.00 142.69 1k93 s PRO 365 Ca 0.04 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 1k93 s PRO 365 Cb -0.23 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 1k93 s PRO 365 CO 0.01 0.20 1.66 0.35 0.04 0.00 0.00 177.00 179.25 1k93 h PHE 366 N 4.60 -0.51 -2.49 0.56 3.57 -1.01 -3.32 116.94 118.34 1k93 h PHE 366 Ca -0.45 0.02 -0.53 0.00 3.53 0.00 0.00 57.97 60.53 1k93 h PHE 366 Cb 1.21 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 40.12 1k93 h PHE 366 CO 0.61 -0.28 1.16 0.34 -2.23 0.00 0.00 178.31 177.92 1k93 s ASP 367 N -4.96 5.90 0.00 0.41 3.68 -1.26 -4.73 116.67 115.72 1k93 s ASP 367 Ca -0.15 0.16 0.09 0.00 2.13 0.00 0.00 52.55 54.79 1k93 s ASP 367 Cb 0.09 -2.54 0.54 0.00 -1.45 0.00 0.00 42.92 39.56 1k93 s ASP 367 CO 0.66 -1.91 0.97 0.00 0.13 0.00 0.00 175.17 175.02 1k93 n GLN 368 N 8.96 0.45 0.00 4.34 1.13 -1.25 -1.77 117.38 129.24 1k93 n GLN 368 Ca 0.13 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.33 1k93 n GLN 368 Cb 0.50 -1.31 0.60 0.00 0.11 0.00 0.00 30.24 30.14 1k93 n GLN 368 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1k93 n ASP 369 N -0.81 1.00 -0.74 1.08 2.03 -1.26 -2.66 116.55 115.18 1k93 n ASP 369 Ca 0.07 -1.19 0.10 0.00 0.52 0.00 0.00 54.79 54.29 1k93 n ASP 369 Cb 0.03 0.01 0.06 0.00 -0.72 0.00 0.00 41.12 40.50 1k93 n ASP 369 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1k93 n LEU 370 N -0.32 2.53 0.00 -2.67 4.77 -0.73 -4.53 117.00 116.04 1k93 n LEU 370 Ca 0.18 -0.93 -0.08 0.00 -0.03 0.00 0.00 56.01 55.15 1k93 n LEU 370 Cb 0.30 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1k93 n LEU 370 CO 0.19 0.44 0.22 -1.54 -1.33 0.00 0.00 177.39 175.37 1k93 n SER 371 N 0.84 0.28 0.15 -1.43 3.41 -1.09 -4.62 113.62 111.17 1k93 n SER 371 Ca 0.11 -1.29 0.13 0.00 -0.26 0.00 0.00 58.87 57.57 1k93 n SER 371 Cb 0.50 -0.26 0.50 0.00 -0.26 0.00 0.00 64.21 64.70 1k93 n SER 371 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1k93 h LYS 372 N 0.00 0.00 -0.53 4.33 2.10 -1.69 -1.72 116.57 119.06 1k93 h LYS 372 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1k93 h LYS 372 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1k93 h LYS 372 CO 0.11 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.19 1k93 n LYS 373 N -2.41 2.11 -1.40 0.07 4.01 -1.26 -4.93 118.16 114.34 1k93 n LYS 373 Ca 0.02 -1.20 -0.41 0.00 -0.51 0.00 0.00 58.31 56.22 1k93 n LYS 373 Cb 0.28 -1.49 0.01 0.00 -0.51 0.00 0.00 35.03 33.32 1k93 n LYS 373 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1k93 n HIS 374 N 0.34 -1.17 0.00 2.13 -0.00 -0.65 -2.10 115.22 113.78 1k93 n HIS 374 Ca 0.11 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.39 1k93 n HIS 374 Cb 0.43 -1.90 0.00 0.00 -0.00 0.00 0.00 29.99 28.51 1k93 n HIS 374 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1k93 n GLY 375 N 1.99 2.13 3.06 1.57 0.00 -1.26 -4.91 105.19 107.78 1k93 n GLY 375 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1k93 n GLY 375 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k93 n GLN 376 N -0.35 3.27 -0.14 1.61 6.02 -0.89 -4.89 117.38 122.01 1k93 n GLN 376 Ca 0.00 -3.27 0.09 0.00 -0.01 0.00 0.00 57.00 53.81 1k93 n GLN 376 Cb 0.00 -3.16 0.17 0.00 1.02 0.00 0.00 30.24 28.27 1k93 n GLN 376 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1k93 n GLN 377 N 5.68 -0.03 -0.09 -1.09 7.27 -1.26 0.11 117.38 127.97 1k93 n GLN 377 Ca 0.45 0.63 -0.13 0.00 0.07 0.00 0.00 57.00 58.01 1k93 n GLN 377 Cb 0.40 -1.04 -0.05 0.00 2.41 0.00 0.00 30.24 31.97 1k93 n GLN 377 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1k93 h LEU 378 N 0.00 0.68 -0.19 1.69 5.85 -1.96 -2.86 115.31 118.52 1k93 h LEU 378 Ca 0.30 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1k93 h LEU 378 Cb 0.69 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1k93 h LEU 378 CO -0.38 1.01 -0.00 0.00 -0.34 0.00 0.00 178.44 178.73 1k93 h ALA 379 N 0.69 0.26 -0.52 1.25 0.00 0.47 -2.40 119.26 119.01 1k93 h ALA 379 Ca 0.04 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1k93 h ALA 379 Cb 0.81 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1k93 h ALA 379 CO 0.06 -0.02 -0.11 0.28 0.00 0.00 0.00 179.25 179.47 1k93 h VAL 380 N 0.10 0.49 -0.47 0.00 2.07 -1.33 0.79 116.25 117.90 1k93 h VAL 380 Ca 0.05 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1k93 h VAL 380 Cb 0.40 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1k93 h VAL 380 CO 0.01 0.00 0.10 -0.33 0.02 0.00 0.00 177.57 177.37 1k93 h GLU 381 N 0.02 0.23 -0.00 1.57 5.08 -1.30 0.95 114.58 121.12 1k93 h GLU 381 Ca 0.26 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1k93 h GLU 381 Cb 0.39 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1k93 h GLU 381 CO -0.52 0.15 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.06 1k93 h LYS 382 N 0.24 0.01 0.42 2.33 1.63 -0.88 0.11 116.57 120.41 1k93 h LYS 382 Ca 0.23 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1k93 h LYS 382 Cb 0.29 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1k93 h LYS 382 CO -0.30 0.36 -0.20 0.78 -3.45 0.00 0.00 179.45 176.64 1k93 h GLY 383 N 1.07 -0.59 0.82 5.01 0.00 0.14 -0.17 103.07 109.35 1k93 h GLY 383 Ca -0.00 0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.58 1k93 h GLY 383 CO 0.05 -0.21 0.49 3.43 0.00 0.00 0.00 176.54 180.29 1k93 h ASN 384 N -0.88 0.79 -0.67 0.19 2.35 0.10 -0.64 115.58 116.82 1k93 h ASN 384 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1k93 h ASN 384 Cb 0.56 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1k93 h ASN 384 CO 0.09 0.53 0.37 0.25 -1.65 0.00 0.00 177.43 177.03 1k93 h LEU 385 N 0.93 0.85 -0.34 1.61 7.12 -0.73 0.12 115.31 124.87 1k93 h LEU 385 Ca 0.32 -0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.25 1k93 h LEU 385 Cb 0.06 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 39.96 1k93 h LEU 385 CO -0.13 0.69 0.18 -0.33 -0.13 0.00 0.00 178.44 178.71 1k93 h GLU 386 N 0.96 0.48 -0.16 1.25 4.39 0.18 0.03 114.58 121.71 1k93 h GLU 386 Ca 0.24 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1k93 h GLU 386 Cb 0.03 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1k93 h GLU 386 CO -0.04 0.42 0.05 -0.91 -1.16 0.00 0.00 179.01 177.36 1k93 h ASN 387 N 0.42 0.23 -0.61 1.42 2.35 -0.64 -0.38 115.58 118.37 1k93 h ASN 387 Ca 0.12 -0.21 0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1k93 h ASN 387 Cb 0.08 -0.06 -0.11 0.00 0.05 0.00 0.00 38.32 38.28 1k93 h ASN 387 CO -0.02 0.38 -0.06 0.11 -1.65 0.00 0.00 177.43 176.19 1k93 h LYS 388 N 0.08 0.06 -0.27 0.81 6.56 -0.60 0.78 116.57 123.99 1k93 h LYS 388 Ca 0.05 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.61 1k93 h LYS 388 Cb 0.23 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 1k93 h LYS 388 CO -0.00 0.04 0.05 0.87 -2.06 0.00 0.00 179.45 178.35 1k93 h LYS 389 N 0.06 0.44 -0.85 3.15 1.57 -0.77 -2.97 116.57 117.20 1k93 h LYS 389 Ca 0.31 -0.12 0.16 0.00 -1.87 0.00 0.00 60.65 59.13 1k93 h LYS 389 Cb 0.49 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.65 1k93 h LYS 389 CO -0.57 0.55 0.42 0.77 -0.57 0.00 0.00 179.45 180.05 1k93 h SER 390 N 0.26 0.47 0.42 0.86 0.02 0.74 0.25 113.55 116.57 1k93 h SER 390 Ca 0.08 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1k93 h SER 390 Cb 0.32 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1k93 h SER 390 CO 0.00 0.17 -0.29 0.40 -1.14 0.00 0.00 176.83 175.97 1k93 h ILE 391 N 0.56 1.03 0.00 3.27 1.08 -0.79 -3.24 117.51 119.42 1k93 h ILE 391 Ca 0.48 -1.07 -0.15 0.00 -0.39 0.00 0.00 64.86 63.73 1k93 h ILE 391 Cb 0.73 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 1k93 h ILE 391 CO -0.40 0.29 -1.41 0.35 -0.69 0.00 0.00 178.15 176.29 1k93 n THR 392 N -3.93 1.39 0.00 -0.27 -2.24 -0.42 -3.69 114.28 105.12 1k93 n THR 392 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1k93 n THR 392 Cb 0.37 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 1k93 n THR 392 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k93 n GLU 393 N -4.20 0.00 -1.13 -0.78 1.02 0.74 -0.92 120.64 115.37 1k93 n GLU 393 Ca -0.25 0.06 0.01 0.00 -0.02 0.00 0.00 57.16 56.95 1k93 n GLU 393 Cb 0.59 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1k93 n GLU 393 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1k93 n HIS 394 N -1.06 0.00 -1.19 -0.32 8.25 -1.22 -5.04 115.22 114.64 1k93 n HIS 394 Ca 0.00 -0.36 -0.45 0.00 -0.26 0.00 0.00 57.72 56.65 1k93 n HIS 394 Cb 0.00 0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 1k93 n HIS 394 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1k93 n GLU 395 N 0.27 0.00 0.00 -0.41 2.13 -0.09 0.06 120.64 122.59 1k93 n GLU 395 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1k93 n GLU 395 Cb 0.93 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 31.58 1k93 n GLU 395 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k93 n GLY 396 N 1.40 2.63 0.13 8.31 0.00 -1.26 -4.75 105.19 111.65 1k93 n GLY 396 Ca 0.16 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1k93 n GLY 396 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k93 n GLU 397 N 0.00 0.74 -4.61 1.61 4.07 0.11 -4.59 120.64 117.97 1k93 n GLU 397 Ca 0.00 0.26 -0.25 0.00 -0.06 0.00 0.00 57.16 57.11 1k93 n GLU 397 Cb 0.00 -1.71 -0.17 0.00 -0.06 0.00 0.00 31.44 29.51 1k93 n GLU 397 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1k93 s ILE 398 N -2.56 1.17 0.00 6.31 -1.09 -1.12 -1.42 121.20 122.49 1k93 s ILE 398 Ca -0.21 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1k93 s ILE 398 Cb 0.07 -1.06 0.00 0.00 -1.58 0.00 0.00 42.46 39.89 1k93 s ILE 398 CO 0.77 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 175.45 1k93 n GLY 399 N 3.76 5.48 3.17 6.18 0.00 0.76 -4.42 105.19 120.12 1k93 n GLY 399 Ca -0.22 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1k93 n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k93 s LYS 400 N 1.45 0.46 0.14 1.61 -2.85 -1.26 -0.59 119.74 118.71 1k93 s LYS 400 Ca 0.00 0.02 -0.05 0.00 -1.00 0.00 0.00 55.97 54.93 1k93 s LYS 400 Cb 0.00 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 35.96 1k93 s LYS 400 CO 0.00 -0.10 0.18 0.96 0.10 0.00 0.00 175.35 176.48 1k93 s ILE 401 N -0.67 0.09 0.42 3.79 -4.36 -0.64 -4.89 121.20 114.94 1k93 s ILE 401 Ca -0.08 -1.60 -0.25 0.00 -0.26 0.00 0.00 60.65 58.46 1k93 s ILE 401 Cb -0.04 -1.88 -0.08 0.00 1.25 0.00 0.00 42.46 41.70 1k93 s ILE 401 CO 0.02 -0.41 1.26 -2.84 0.24 0.00 0.00 174.94 173.20 1k93 s PRO 402 N -3.99 3.90 0.23 0.37 0.02 -1.26 -0.24 135.00 134.03 1k93 s PRO 402 Ca 0.19 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 1k93 s PRO 402 Cb 0.05 -2.66 -0.09 0.00 0.02 0.00 0.00 34.50 31.83 1k93 s PRO 402 CO -0.00 -0.51 1.07 -1.17 -0.33 0.00 0.00 177.00 176.06 1k93 s LEU 403 N -2.60 4.54 -0.17 -5.54 2.96 -0.17 -4.80 118.68 112.90 1k93 s LEU 403 Ca 0.59 2.14 -0.00 0.00 -0.22 0.00 0.00 54.13 56.64 1k93 s LEU 403 Cb -0.35 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.77 1k93 s LEU 403 CO 0.44 -0.13 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.74 1k93 s LYS 404 N -0.95 1.54 -0.40 1.98 1.02 -1.26 -2.37 119.74 119.31 1k93 s LYS 404 Ca 0.46 -0.59 -0.15 0.00 0.02 0.00 0.00 55.97 55.71 1k93 s LYS 404 Cb -0.30 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1k93 s LYS 404 CO 0.37 -0.44 0.32 -0.51 -0.92 0.00 0.00 175.35 174.18 1k93 s LEU 405 N 1.59 4.96 0.88 3.17 1.43 -0.88 -5.03 118.68 124.81 1k93 s LEU 405 Ca 0.00 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 1k93 s LEU 405 Cb -0.15 -2.21 0.12 0.00 0.03 0.00 0.00 46.19 43.97 1k93 s LEU 405 CO -0.08 -0.45 1.10 1.51 0.23 0.00 0.00 176.35 178.67 1k93 s ASP 406 N 1.71 3.70 0.25 2.29 1.47 -1.26 -4.80 116.67 120.02 1k93 s ASP 406 Ca 0.07 1.25 -0.06 0.00 1.18 0.00 0.00 52.55 54.99 1k93 s ASP 406 Cb -0.18 -1.92 0.46 0.00 -0.34 0.00 0.00 42.92 40.93 1k93 s ASP 406 CO 0.11 -2.47 1.66 0.45 0.68 0.00 0.00 175.17 175.60 1k93 h HIS 407 N -1.43 0.12 -0.41 2.11 3.86 -1.99 -2.24 115.15 115.17 1k93 h HIS 407 Ca -0.50 0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 58.71 1k93 h HIS 407 Cb 1.30 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.81 1k93 h HIS 407 CO 0.38 -0.17 0.04 -0.07 0.86 0.00 0.00 177.93 178.98 1k93 h LEU 408 N 0.18 0.68 -0.86 2.43 4.07 -2.00 -3.10 115.31 116.70 1k93 h LEU 408 Ca 0.42 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 1k93 h LEU 408 Cb 0.74 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 1k93 h LEU 408 CO -0.58 0.79 0.40 -0.09 -1.08 0.00 0.00 178.44 177.87 1k93 h ARG 409 N 0.54 1.22 -1.00 1.13 9.65 -1.80 0.01 114.38 124.12 1k93 h ARG 409 Ca 0.12 -0.18 0.12 0.00 -1.10 0.00 0.00 59.98 58.93 1k93 h ARG 409 Cb 0.42 -0.22 -0.08 0.00 -1.39 0.00 0.00 29.97 28.70 1k93 h ARG 409 CO 0.01 0.94 0.63 0.82 2.80 0.00 0.00 179.97 185.18 1k93 h ILE 410 N 1.20 0.93 0.05 1.20 1.08 -1.35 0.26 117.51 120.88 1k93 h ILE 410 Ca 0.29 -0.35 -0.24 0.00 -0.39 0.00 0.00 64.86 64.17 1k93 h ILE 410 Cb 0.13 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 1k93 h ILE 410 CO -0.03 0.18 -1.04 -0.33 -0.69 0.00 0.00 178.15 176.24 1k93 h GLU 411 N 1.01 0.36 -0.50 2.37 5.08 -1.25 0.13 114.58 121.79 1k93 h GLU 411 Ca 0.49 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1k93 h GLU 411 Cb 0.47 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1k93 h GLU 411 CO -0.26 1.14 0.23 0.93 -1.00 0.00 0.00 179.01 180.06 1k93 h GLU 412 N 0.17 0.70 -0.18 2.33 5.08 0.04 0.14 114.58 122.87 1k93 h GLU 412 Ca -0.10 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 57.97 1k93 h GLU 412 Cb 1.71 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1k93 h GLU 412 CO 0.18 0.55 -0.69 -0.07 -1.00 0.00 0.00 179.01 177.97 1k93 h LEU 413 N 0.70 0.85 -1.15 1.33 3.38 -0.36 -1.99 115.31 118.07 1k93 h LEU 413 Ca 0.17 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1k93 h LEU 413 Cb 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1k93 h LEU 413 CO -0.02 1.31 0.44 0.50 0.09 0.00 0.00 178.44 180.75 1k93 h LYS 414 N 0.52 1.02 0.46 1.13 3.64 0.50 -1.73 116.57 122.11 1k93 h LYS 414 Ca -0.03 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1k93 h LYS 414 Cb 1.30 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1k93 h LYS 414 CO 0.14 0.72 -0.22 0.93 -2.27 0.00 0.00 179.45 178.76 1k93 h GLU 415 N 1.03 -0.59 0.00 1.90 4.39 -0.62 -2.37 114.58 118.32 1k93 h GLU 415 Ca 0.27 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1k93 h GLU 415 Cb -0.02 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1k93 h GLU 415 CO -0.05 -0.39 0.11 0.09 -1.16 0.00 0.00 179.01 177.61 1k93 n ASN 416 N -3.94 0.00 -3.48 1.42 5.03 -0.76 -4.76 115.26 108.77 1k93 n ASN 416 Ca -0.08 0.13 -0.20 0.00 0.87 0.00 0.00 54.58 55.29 1k93 n ASN 416 Cb 0.24 -0.13 0.06 0.00 -1.02 0.00 0.00 39.78 38.93 1k93 n ASN 416 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k93 n GLY 417 N -1.00 -0.81 0.04 7.41 0.00 -0.81 -4.93 105.19 105.09 1k93 n GLY 417 Ca 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 1k93 n GLY 417 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k93 n ILE 418 N -3.82 0.54 -3.65 -0.61 2.08 -0.72 -5.05 119.36 108.13 1k93 n ILE 418 Ca -0.16 -0.25 -0.15 0.00 0.56 0.00 0.00 62.75 62.75 1k93 n ILE 418 Cb 0.63 -0.83 -0.07 0.00 -0.75 0.00 0.00 39.64 38.62 1k93 n ILE 418 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1k93 s ILE 419 N -2.19 0.03 -0.08 1.39 -4.36 -1.25 -4.22 121.20 110.52 1k93 s ILE 419 Ca -0.10 -0.23 0.05 0.00 -0.26 0.00 0.00 60.65 60.11 1k93 s ILE 419 Cb 0.03 -0.80 -0.00 0.00 1.25 0.00 0.00 42.46 42.94 1k93 s ILE 419 CO 0.25 -0.13 -0.24 -0.76 0.24 0.00 0.00 174.94 174.30 1k93 s LEU 420 N -1.19 2.08 -0.34 0.37 1.43 -0.96 -3.82 118.68 116.24 1k93 s LEU 420 Ca -0.12 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 1k93 s LEU 420 Cb -0.03 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 1k93 s LEU 420 CO 0.07 0.19 1.60 -0.75 0.23 0.00 0.00 176.35 177.69 1k93 s LYS 421 N 0.17 3.52 0.00 1.70 2.47 -1.26 -0.96 119.74 125.37 1k93 s LYS 421 Ca -0.13 1.27 0.00 0.00 -1.56 0.00 0.00 55.97 55.54 1k93 s LYS 421 Cb -0.16 -4.09 0.00 0.00 -1.46 0.00 0.00 37.83 32.11 1k93 s LYS 421 CO 0.07 -1.63 0.00 0.41 0.16 0.00 0.00 175.35 174.36 1k93 n GLY 422 N 5.13 1.11 3.81 5.54 0.00 0.43 -4.96 105.19 116.26 1k93 n GLY 422 Ca 0.19 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 1k93 n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k93 s LYS 423 N 1.73 2.94 0.79 1.61 -2.85 -1.26 -4.42 119.74 118.28 1k93 s LYS 423 Ca 0.00 1.06 -0.12 0.00 -1.00 0.00 0.00 55.97 55.91 1k93 s LYS 423 Cb 0.00 -1.99 0.07 0.00 -2.06 0.00 0.00 37.83 33.85 1k93 s LYS 423 CO 0.00 -1.10 1.12 0.21 0.10 0.00 0.00 175.35 175.67 1k93 s LYS 424 N -4.76 2.11 -0.17 1.78 2.20 -1.26 -1.29 119.74 118.36 1k93 s LYS 424 Ca 0.60 0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 56.35 1k93 s LYS 424 Cb -0.15 -1.94 0.11 0.00 -1.51 0.00 0.00 37.83 34.34 1k93 s LYS 424 CO 0.50 -1.55 0.93 -2.00 -0.36 0.00 0.00 175.35 172.87 1k93 s GLU 425 N -5.31 0.68 -0.01 4.03 2.12 0.49 -4.85 118.70 115.85 1k93 s GLU 425 Ca 0.61 0.29 0.06 0.00 0.36 0.00 0.00 54.97 56.29 1k93 s GLU 425 Cb -0.13 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 1k93 s GLU 425 CO 0.52 -0.19 -0.19 0.42 -0.54 0.00 0.00 175.26 175.29 1k93 s ILE 426 N -0.81 1.52 -0.06 -3.70 1.01 -1.26 -0.29 121.20 117.61 1k93 s ILE 426 Ca -0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1k93 s ILE 426 Cb -0.01 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.22 1k93 s ILE 426 CO 0.02 0.40 0.13 -0.62 0.00 0.00 0.00 174.94 174.86 1k93 s ASP 427 N -0.54 -0.10 -1.43 3.58 3.68 -0.93 -4.89 116.67 116.05 1k93 s ASP 427 Ca 0.07 0.27 -0.01 0.00 2.13 0.00 0.00 52.55 55.00 1k93 s ASP 427 Cb -0.08 0.18 0.01 0.00 -1.45 0.00 0.00 42.92 41.58 1k93 s ASP 427 CO -0.00 -0.13 0.04 -3.20 0.13 0.00 0.00 175.17 172.00 1k93 n ASN 428 N 3.98 0.71 -1.88 -0.34 5.15 -1.26 -0.71 115.26 120.91 1k93 n ASN 428 Ca -0.24 -1.16 -0.14 0.00 -0.60 0.00 0.00 54.58 52.43 1k93 n ASN 428 Cb 0.53 -1.45 0.01 0.00 -0.53 0.00 0.00 39.78 38.34 1k93 n ASN 428 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k93 n GLY 429 N -2.35 -0.15 3.11 8.20 0.00 -1.26 -5.04 105.19 107.69 1k93 n GLY 429 Ca -0.27 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 1k93 n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k93 s LYS 430 N -5.06 0.82 -0.22 1.61 -0.14 0.12 -5.13 119.74 111.73 1k93 s LYS 430 Ca 0.12 -0.68 -0.14 0.00 -1.36 0.00 0.00 55.97 53.91 1k93 s LYS 430 Cb -0.05 -0.79 -0.04 0.00 -1.68 0.00 0.00 37.83 35.27 1k93 s LYS 430 CO 0.15 0.19 0.30 0.21 -0.76 0.00 0.00 175.35 175.44 1k93 s LYS 431 N -1.06 4.12 0.06 1.68 2.20 -1.26 -2.18 119.74 123.30 1k93 s LYS 431 Ca -0.00 -0.00 0.06 0.00 -0.36 0.00 0.00 55.97 55.67 1k93 s LYS 431 Cb -0.07 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1k93 s LYS 431 CO 0.01 -0.02 -0.16 0.71 -0.36 0.00 0.00 175.35 175.53 1k93 s TYR 432 N 1.27 1.39 -0.13 4.03 1.51 0.60 -1.21 117.35 124.82 1k93 s TYR 432 Ca 0.14 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1k93 s TYR 432 Cb -0.14 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 1k93 s TYR 432 CO 0.07 0.08 -0.15 0.71 -1.11 0.00 0.00 175.55 175.15 1k93 s TYR 433 N -1.03 2.77 0.93 2.71 1.51 -0.72 -0.38 117.35 123.13 1k93 s TYR 433 Ca 0.02 -0.78 -0.11 0.00 -1.01 0.00 0.00 57.07 55.19 1k93 s TYR 433 Cb -0.09 -1.83 0.15 0.00 -0.11 0.00 0.00 41.96 40.08 1k93 s TYR 433 CO 0.02 -0.29 1.10 -1.17 -1.11 0.00 0.00 175.55 174.09 1k93 s LEU 434 N 0.44 2.29 -0.11 -1.29 2.96 -0.41 -0.85 118.68 121.71 1k93 s LEU 434 Ca -0.11 1.75 -0.02 0.00 -0.22 0.00 0.00 54.13 55.52 1k93 s LEU 434 Cb -0.16 -4.11 0.04 0.00 0.50 0.00 0.00 46.19 42.46 1k93 s LEU 434 CO 0.05 -2.96 0.03 -0.76 -1.32 0.00 0.00 176.35 171.40 1k93 s LEU 435 N -6.46 0.64 0.30 -0.68 1.43 -0.64 -0.43 118.68 112.83 1k93 s LEU 435 Ca 0.65 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1k93 s LEU 435 Cb -0.20 -0.41 -0.05 0.00 0.03 0.00 0.00 46.19 45.56 1k93 s LEU 435 CO 0.58 -0.25 0.54 -1.61 0.23 0.00 0.00 176.35 175.84 1k93 s GLU 436 N 2.00 3.58 0.05 1.70 0.41 -0.14 -3.83 118.70 122.47 1k93 s GLU 436 Ca 0.03 -0.12 -0.20 0.00 -0.41 0.00 0.00 54.97 54.27 1k93 s GLU 436 Cb -0.14 -2.67 0.04 0.00 -1.78 0.00 0.00 34.13 29.58 1k93 s GLU 436 CO -0.06 0.21 0.47 -1.54 -0.49 0.00 0.00 175.26 173.85 1k93 s SER 437 N -3.40 -0.36 0.00 -0.19 1.04 -1.26 -2.27 113.70 107.27 1k93 s SER 437 Ca 0.42 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1k93 s SER 437 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1k93 s SER 437 CO 0.32 -0.71 0.65 -0.46 0.98 0.00 0.00 173.24 174.02 1k93 n ASN 438 N 0.38 1.72 -4.80 7.02 2.04 -1.26 -4.77 115.26 115.59 1k93 n ASN 438 Ca -0.18 -1.78 -0.37 0.00 -0.44 0.00 0.00 54.58 51.81 1k93 n ASN 438 Cb 0.60 -0.45 -0.06 0.00 -2.53 0.00 0.00 39.78 37.35 1k93 n ASN 438 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1k93 s ASN 439 N 0.41 7.18 0.00 0.53 3.84 -1.26 -4.98 114.94 120.66 1k93 s ASN 439 Ca 0.00 1.54 0.13 0.00 0.21 0.00 0.00 52.86 54.74 1k93 s ASN 439 Cb 0.00 -2.46 -0.11 0.00 -0.55 0.00 0.00 41.25 38.13 1k93 s ASN 439 CO 0.00 0.07 0.58 0.00 -2.79 0.00 0.00 177.10 174.96 1k93 n GLN 440 N 0.93 2.62 -0.04 0.43 0.00 -1.26 -4.57 117.38 115.48 1k93 n GLN 440 Ca -0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 57.00 56.72 1k93 n GLN 440 Cb 0.50 -1.12 -0.14 0.00 0.00 0.00 0.00 30.24 29.48 1k93 n GLN 440 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1k93 n VAL 441 N -1.08 1.57 -4.52 -0.39 0.31 -1.26 -4.82 118.33 108.15 1k93 n VAL 441 Ca 0.03 -0.78 -0.26 0.00 -0.01 0.00 0.00 64.34 63.32 1k93 n VAL 441 Cb 0.21 -1.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.04 1k93 n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1k93 s TYR 442 N -2.56 2.42 -0.02 3.52 1.51 -1.26 -1.67 117.35 119.29 1k93 s TYR 442 Ca -0.10 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1k93 s TYR 442 Cb 0.07 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1k93 s TYR 442 CO 0.81 0.57 -0.04 -2.00 -1.11 0.00 0.00 175.55 173.78 1k93 s GLU 443 N -3.62 0.48 0.21 -0.62 2.12 -0.56 -4.83 118.70 111.87 1k93 s GLU 443 Ca 0.33 -0.10 0.11 0.00 0.36 0.00 0.00 54.97 55.67 1k93 s GLU 443 Cb 0.02 -0.51 -0.05 0.00 0.26 0.00 0.00 34.13 33.86 1k93 s GLU 443 CO 0.17 0.01 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.61 1k93 s PHE 444 N 0.38 2.25 0.01 5.30 0.40 -1.25 -1.71 117.98 123.36 1k93 s PHE 444 Ca -0.04 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.77 1k93 s PHE 444 Cb -0.08 -1.08 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1k93 s PHE 444 CO -0.00 0.53 0.32 -0.98 0.70 0.00 0.00 175.22 175.79 1k93 s ARG 445 N -2.89 0.75 0.12 0.44 3.03 -0.88 -1.63 118.95 117.89 1k93 s ARG 445 Ca 0.22 -0.33 0.10 0.00 2.03 0.00 0.00 55.73 57.76 1k93 s ARG 445 Cb -0.07 0.33 -0.04 0.00 -1.03 0.00 0.00 34.95 34.14 1k93 s ARG 445 CO 0.11 -0.23 -0.25 -1.50 -1.13 0.00 0.00 175.30 172.30 1k93 s ILE 446 N -1.91 2.11 0.20 4.99 2.07 -0.03 -0.35 121.20 128.27 1k93 s ILE 446 Ca -0.09 -1.67 -0.26 0.00 -1.41 0.00 0.00 60.65 57.21 1k93 s ILE 446 Cb -0.03 -1.87 -0.08 0.00 0.13 0.00 0.00 42.46 40.61 1k93 s ILE 446 CO 0.01 0.08 0.83 -0.55 -1.91 0.00 0.00 174.94 173.39 1k93 s SER 447 N -1.95 7.44 0.13 4.50 0.15 0.40 -1.76 113.70 122.61 1k93 s SER 447 Ca 0.12 1.73 -0.05 0.00 0.70 0.00 0.00 55.95 58.44 1k93 s SER 447 Cb -0.10 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.59 1k93 s SER 447 CO 0.05 0.18 1.31 -0.78 1.20 0.00 0.00 173.24 175.19 1k93 h ASP 448 N 4.18 0.57 0.18 5.45 1.82 -1.50 -1.96 116.42 125.16 1k93 h ASP 448 Ca -0.47 -0.45 -0.01 0.00 -0.39 0.00 0.00 57.03 55.72 1k93 h ASP 448 Cb 1.20 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.04 1k93 h ASP 448 CO 0.66 1.24 -0.09 -0.33 -1.61 0.00 0.00 179.24 179.12 1k93 h GLU 449 N 0.26 -0.23 -0.07 0.28 5.08 -1.94 -3.38 114.58 114.58 1k93 h GLU 449 Ca -0.08 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1k93 h GLU 449 Cb 1.56 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1k93 h GLU 449 CO 0.16 -0.15 0.00 0.27 -1.00 0.00 0.00 179.01 178.29 1k93 n ASN 450 N -3.07 2.85 -2.50 1.42 0.23 -1.26 -4.98 115.26 107.96 1k93 n ASN 450 Ca -0.03 -1.90 -0.18 0.00 -0.53 0.00 0.00 54.58 51.94 1k93 n ASN 450 Cb 0.09 -0.03 0.03 0.00 -2.08 0.00 0.00 39.78 37.79 1k93 n ASN 450 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1k93 n ASN 451 N 1.22 -5.35 -4.70 0.53 3.02 -0.73 -4.87 115.26 104.38 1k93 n ASN 451 Ca 0.13 -0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.07 1k93 n ASN 451 Cb 0.54 -4.20 -0.05 0.00 -0.61 0.00 0.00 39.78 35.45 1k93 n ASN 451 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k93 s GLU 452 N -5.46 4.33 0.11 3.52 2.02 -1.26 -2.08 118.70 119.90 1k93 s GLU 452 Ca 0.23 0.66 -0.19 0.00 0.02 0.00 0.00 54.97 55.70 1k93 s GLU 452 Cb -0.10 -3.49 -0.07 0.00 0.10 0.00 0.00 34.13 30.57 1k93 s GLU 452 CO 0.29 -0.01 0.60 0.08 0.02 0.00 0.00 175.26 176.23 1k93 s VAL 453 N 1.14 4.72 0.26 2.63 1.01 -1.00 -0.45 120.40 128.71 1k93 s VAL 453 Ca 0.31 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.50 1k93 s VAL 453 Cb -0.16 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1k93 s VAL 453 CO 0.13 0.44 0.02 -1.10 0.00 0.00 0.00 175.10 174.59 1k93 s GLN 454 N -1.40 1.45 0.16 2.72 -0.21 0.53 -2.08 119.66 120.83 1k93 s GLN 454 Ca 0.33 -1.76 -0.09 0.00 0.02 0.00 0.00 55.36 53.86 1k93 s GLN 454 Cb -0.18 -0.71 -0.01 0.00 1.00 0.00 0.00 33.01 33.11 1k93 s GLN 454 CO 0.20 -0.13 0.28 1.52 -2.12 0.00 0.00 175.29 175.04 1k93 s TYR 455 N -3.38 0.37 0.09 0.91 -0.00 0.64 -2.07 117.35 113.91 1k93 s TYR 455 Ca 0.32 -0.74 -0.20 0.00 -0.00 0.00 0.00 57.07 56.44 1k93 s TYR 455 Cb 0.06 -0.05 0.05 0.00 -0.00 0.00 0.00 41.96 42.02 1k93 s TYR 455 CO 0.11 -0.71 0.49 -1.59 -0.00 0.00 0.00 175.55 173.86 1k93 s LYS 456 N -3.96 1.07 0.59 -3.49 -2.85 -0.69 -1.25 119.74 109.17 1k93 s LYS 456 Ca 0.16 -0.41 -0.15 0.00 -1.00 0.00 0.00 55.97 54.57 1k93 s LYS 456 Cb 0.03 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.25 1k93 s LYS 456 CO -0.01 -0.41 1.05 0.95 0.10 0.00 0.00 175.35 177.03 1k93 s THR 457 N -3.02 3.94 0.34 3.79 -4.23 -0.77 -1.50 115.64 114.18 1k93 s THR 457 Ca -0.02 0.90 -0.10 0.00 -1.18 0.00 0.00 61.69 61.29 1k93 s THR 457 Cb -0.00 -3.44 -0.07 0.00 1.34 0.00 0.00 72.50 70.33 1k93 s THR 457 CO -0.06 -0.57 0.68 -0.54 -0.54 0.00 0.00 174.62 173.59 1k93 s LYS 458 N -4.16 3.79 0.11 3.99 1.02 -0.67 -4.80 119.74 119.01 1k93 s LYS 458 Ca 0.62 0.37 -0.35 0.00 0.02 0.00 0.00 55.97 56.64 1k93 s LYS 458 Cb -0.15 -2.49 -0.14 0.00 -0.52 0.00 0.00 37.83 34.53 1k93 s LYS 458 CO 0.38 0.11 1.56 -1.91 -0.92 0.00 0.00 175.35 174.56 1k93 n GLU 459 N -0.88 1.93 0.00 1.68 4.07 -1.26 -0.95 120.64 125.22 1k93 n GLU 459 Ca 0.01 0.70 0.00 0.00 -0.06 0.00 0.00 57.16 57.81 1k93 n GLU 459 Cb 0.54 -2.44 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 1k93 n GLU 459 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k93 n GLY 460 N 3.33 3.06 3.88 8.31 0.00 -1.26 -5.01 105.19 117.51 1k93 n GLY 460 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1k93 n GLY 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k93 s LYS 461 N -0.15 3.76 0.01 1.61 -0.14 -0.13 -5.10 119.74 119.61 1k93 s LYS 461 Ca 0.00 0.30 0.05 0.00 -1.36 0.00 0.00 55.97 54.97 1k93 s LYS 461 Cb 0.00 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.61 1k93 s LYS 461 CO 0.00 0.13 -0.16 -1.50 -0.76 0.00 0.00 175.35 173.06 1k93 s ILE 462 N -2.13 1.27 1.10 2.17 1.10 -1.26 -4.65 121.20 118.80 1k93 s ILE 462 Ca 0.48 -0.84 -0.12 0.00 -0.51 0.00 0.00 60.65 59.66 1k93 s ILE 462 Cb -0.11 -1.09 0.25 0.00 0.15 0.00 0.00 42.46 41.66 1k93 s ILE 462 CO 0.27 0.23 1.05 -0.89 -2.11 0.00 0.00 174.94 173.50 1k93 s THR 463 N -0.57 2.07 0.39 4.00 2.01 -0.68 -4.76 115.64 118.11 1k93 s THR 463 Ca 0.05 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.17 1k93 s THR 463 Cb -0.07 -2.13 0.17 0.00 0.01 0.00 0.00 72.50 70.48 1k93 s THR 463 CO 0.00 -0.03 1.93 0.58 -0.69 0.00 0.00 174.62 176.42 1k93 h VAL 464 N -2.42 1.17 -0.21 3.82 2.07 -1.93 0.34 116.25 119.09 1k93 h VAL 464 Ca -0.58 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1k93 h VAL 464 Cb 1.32 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1k93 h VAL 464 CO 0.50 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.49 1k93 n LEU 465 N -4.30 1.97 -3.43 2.57 4.77 -1.26 -4.88 117.00 112.45 1k93 n LEU 465 Ca -0.01 -0.99 -0.17 0.00 -0.03 0.00 0.00 56.01 54.81 1k93 n LEU 465 Cb 0.25 -0.38 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1k93 n LEU 465 CO 0.38 0.35 0.06 0.61 -1.33 0.00 0.00 177.39 177.46 1k93 n GLY 466 N 0.52 -0.57 3.72 -0.72 0.00 0.12 -5.02 105.19 103.25 1k93 n GLY 466 Ca 0.09 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1k93 n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k93 s GLU 467 N -5.22 2.13 -0.20 1.61 2.02 -1.26 -4.75 118.70 113.04 1k93 s GLU 467 Ca 0.13 -2.28 -0.25 0.00 0.02 0.00 0.00 54.97 52.59 1k93 s GLU 467 Cb -0.02 -1.60 0.07 0.00 0.10 0.00 0.00 34.13 32.67 1k93 s GLU 467 CO 0.75 -0.27 0.67 -1.59 0.02 0.00 0.00 175.26 174.84 1k93 s LYS 468 N -3.84 0.85 -0.01 1.61 -2.85 -1.26 -1.68 119.74 112.55 1k93 s LYS 468 Ca 0.17 0.75 -0.29 0.00 -1.00 0.00 0.00 55.97 55.59 1k93 s LYS 468 Cb 0.04 0.41 0.10 0.00 -2.06 0.00 0.00 37.83 36.32 1k93 s LYS 468 CO 0.09 -0.15 1.02 -0.59 0.10 0.00 0.00 175.35 175.82 1k93 s PHE 469 N -0.05 -0.22 0.00 1.78 -0.12 -1.26 -5.02 117.98 113.09 1k93 s PHE 469 Ca -0.03 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.92 1k93 s PHE 469 Cb -0.04 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1k93 s PHE 469 CO 0.03 -0.50 0.00 -1.71 -0.05 0.00 0.00 175.22 172.99 1k93 n ASN 470 N -0.29 0.00 -4.31 1.98 5.15 -1.26 -1.86 115.26 114.67 1k93 n ASN 470 Ca -0.06 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.66 1k93 n ASN 470 Cb 0.61 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.73 1k93 n ASN 470 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1k93 s TRP 471 N 0.00 1.99 -0.28 1.20 -0.00 -1.26 -4.10 118.94 116.48 1k93 s TRP 471 Ca 0.00 -0.40 -0.23 0.00 -0.00 0.00 0.00 56.10 55.48 1k93 s TRP 471 Cb 0.00 -1.12 0.13 0.00 -0.00 0.00 0.00 33.47 32.48 1k93 s TRP 471 CO 0.00 0.20 1.03 -0.98 -0.00 0.00 0.00 176.95 177.20 1k93 s ARG 472 N -1.68 0.45 0.61 5.86 1.70 -0.38 -4.93 118.95 120.59 1k93 s ARG 472 Ca 0.09 0.60 -0.18 0.00 -0.47 0.00 0.00 55.73 55.77 1k93 s ARG 472 Cb -0.10 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 1k93 s ARG 472 CO 0.04 -0.06 0.84 0.09 -1.08 0.00 0.00 175.30 175.12 1k93 n ASN 473 N 2.59 0.23 -4.58 -2.89 4.13 -1.26 -0.26 115.26 113.22 1k93 n ASN 473 Ca -0.14 0.77 -0.40 0.00 1.68 0.00 0.00 54.58 56.49 1k93 n ASN 473 Cb 0.56 -1.33 -0.08 0.00 -1.54 0.00 0.00 39.78 37.39 1k93 n ASN 473 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1k93 s ILE 474 N -1.59 5.10 0.06 2.41 1.01 -0.89 -4.73 121.20 122.57 1k93 s ILE 474 Ca 0.74 0.43 -0.12 0.00 0.00 0.00 0.00 60.65 61.70 1k93 s ILE 474 Cb -0.42 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 1k93 s ILE 474 CO 0.49 -0.04 0.42 -1.61 0.00 0.00 0.00 174.94 174.19 1k93 s GLU 475 N 2.21 3.82 0.09 2.79 2.02 -1.26 -1.00 118.70 127.38 1k93 s GLU 475 Ca 0.17 0.27 0.09 0.00 0.02 0.00 0.00 54.97 55.51 1k93 s GLU 475 Cb -0.16 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 1k93 s GLU 475 CO 0.11 0.59 -0.22 0.14 0.02 0.00 0.00 175.26 175.90 1k93 s VAL 476 N -1.31 1.81 0.13 2.63 -7.23 0.67 -0.37 120.40 116.73 1k93 s VAL 476 Ca 0.31 -1.52 -0.31 0.00 -1.81 0.00 0.00 61.98 58.65 1k93 s VAL 476 Cb -0.15 -1.62 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 1k93 s VAL 476 CO 0.17 0.03 1.57 -0.04 -0.31 0.00 0.00 175.10 176.51 1k93 s MET 477 N -1.79 4.22 0.22 4.82 1.00 0.95 -1.62 119.30 127.11 1k93 s MET 477 Ca 0.08 2.31 0.06 0.00 0.00 0.00 0.00 55.69 58.14 1k93 s MET 477 Cb -0.10 -3.31 -0.05 0.00 0.00 0.00 0.00 34.83 31.37 1k93 s MET 477 CO 0.04 -0.63 -0.09 0.00 0.00 0.00 0.00 175.02 174.35 1k93 s ALA 478 N 1.64 1.93 0.32 3.03 0.00 0.24 -2.03 121.76 126.89 1k93 s ALA 478 Ca 0.70 -1.70 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1k93 s ALA 478 Cb -0.41 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 1k93 s ALA 478 CO 0.31 -0.07 -0.08 -1.59 0.00 0.00 0.00 175.76 174.34 1k93 s LYS 479 N -3.73 1.73 -0.03 0.00 -2.85 -0.37 -0.17 119.74 114.31 1k93 s LYS 479 Ca 0.24 -1.89 -0.19 0.00 -1.00 0.00 0.00 55.97 53.13 1k93 s LYS 479 Cb 0.02 -1.50 -0.05 0.00 -2.06 0.00 0.00 37.83 34.25 1k93 s LYS 479 CO 0.07 0.09 0.55 1.21 0.10 0.00 0.00 175.35 177.37 1k93 s ASN 480 N -3.55 6.89 -0.31 0.03 3.84 -0.51 -0.38 114.94 120.95 1k93 s ASN 480 Ca 0.32 1.06 -0.00 0.00 0.21 0.00 0.00 52.86 54.45 1k93 s ASN 480 Cb 0.03 -2.33 0.13 0.00 -0.55 0.00 0.00 41.25 38.53 1k93 s ASN 480 CO 0.15 0.11 0.28 -0.69 -2.79 0.00 0.00 177.10 174.16 1k93 s VAL 481 N -0.13 -0.30 -1.01 -5.21 1.01 0.46 -4.88 120.40 110.33 1k93 s VAL 481 Ca 0.29 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1k93 s VAL 481 Cb -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1k93 s VAL 481 CO 0.15 -0.56 0.86 -0.62 0.00 0.00 0.00 175.10 174.93 1k93 n GLU 482 N 5.02 -5.72 -0.59 2.72 -0.58 -1.26 -2.74 120.64 117.49 1k93 n GLU 482 Ca 0.01 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 1k93 n GLU 482 Cb 0.45 -5.23 0.00 0.00 -0.57 0.00 0.00 31.44 26.09 1k93 n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k93 n GLY 483 N -1.31 1.29 3.50 0.62 0.00 -1.26 -5.00 105.19 103.03 1k93 n GLY 483 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1k93 n GLY 483 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k93 s VAL 484 N -3.07 2.92 -0.28 1.61 -7.23 -1.11 -5.10 120.40 108.16 1k93 s VAL 484 Ca 0.00 -1.38 -0.22 0.00 -1.81 0.00 0.00 61.98 58.57 1k93 s VAL 484 Cb 0.00 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 1k93 s VAL 484 CO 0.00 0.16 0.72 -0.76 -0.31 0.00 0.00 175.10 174.91 1k93 s LEU 485 N -1.97 4.09 -0.12 1.32 1.02 -1.26 -0.41 118.68 121.35 1k93 s LEU 485 Ca 0.18 0.71 0.02 0.00 0.02 0.00 0.00 54.13 55.05 1k93 s LEU 485 Cb -0.11 -2.98 -0.01 0.00 0.02 0.00 0.00 46.19 43.12 1k93 s LEU 485 CO 0.09 -0.49 -0.19 -0.54 0.02 0.00 0.00 176.35 175.24 1k93 s LYS 486 N 2.73 3.19 0.48 1.70 1.02 0.48 -4.89 119.74 124.45 1k93 s LYS 486 Ca 0.30 -0.79 -0.22 0.00 0.02 0.00 0.00 55.97 55.27 1k93 s LYS 486 Cb -0.15 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 1k93 s LYS 486 CO 0.10 0.17 0.95 -0.35 -0.92 0.00 0.00 175.35 175.30 1k93 n PRO 487 N 3.59 1.15 -3.97 -1.68 -0.04 -1.26 -1.24 135.00 131.54 1k93 n PRO 487 Ca -0.19 0.42 -0.21 0.00 -0.04 0.00 0.00 63.50 63.48 1k93 n PRO 487 Cb 0.53 -2.04 -0.04 0.00 -0.04 0.00 0.00 33.50 31.91 1k93 n PRO 487 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k93 s LEU 488 N -0.78 3.73 0.34 1.53 1.43 -0.86 -3.86 118.68 120.20 1k93 s LEU 488 Ca 0.67 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1k93 s LEU 488 Cb -0.51 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1k93 s LEU 488 CO 0.54 -0.18 0.49 0.28 0.23 0.00 0.00 176.35 177.70 1k93 s THR 489 N -2.21 0.00 0.94 5.49 -1.32 -0.70 -3.81 115.64 114.04 1k93 s THR 489 Ca 0.37 -1.57 -0.11 0.00 -1.21 0.00 0.00 61.69 59.16 1k93 s THR 489 Cb -0.07 -2.64 0.10 0.00 -1.51 0.00 0.00 72.50 68.38 1k93 s THR 489 CO 0.26 0.00 0.77 0.00 -2.21 0.00 0.00 174.62 173.44 1k93 n ALA 490 N -0.56 -1.78 -3.91 11.08 0.00 -1.25 -2.06 120.51 122.03 1k93 n ALA 490 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 1k93 n ALA 490 Cb 0.61 -1.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.07 1k93 n ALA 490 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1k93 n ASP 491 N -2.82 1.82 -4.53 0.00 3.85 -1.26 -4.33 116.55 109.27 1k93 n ASP 491 Ca 0.09 -1.05 -0.38 0.00 -0.71 0.00 0.00 54.79 52.74 1k93 n ASP 491 Cb 0.53 0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 40.20 1k93 n ASP 491 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1k93 s TYR 492 N -1.14 3.18 -0.26 2.11 2.02 0.23 -4.91 117.35 118.58 1k93 s TYR 492 Ca 0.00 -0.13 -0.10 0.00 -0.37 0.00 0.00 57.07 56.47 1k93 s TYR 492 Cb 0.00 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1k93 s TYR 492 CO 0.00 -0.27 0.15 -0.51 -1.57 0.00 0.00 175.55 173.35 1k93 s ASP 493 N 1.70 5.81 0.12 2.29 -0.00 -1.26 -4.46 116.67 120.87 1k93 s ASP 493 Ca 0.06 -0.02 -0.30 0.00 -0.00 0.00 0.00 52.55 52.29 1k93 s ASP 493 Cb -0.16 -2.06 -0.06 0.00 -0.00 0.00 0.00 42.92 40.64 1k93 s ASP 493 CO 0.08 -0.00 1.12 -0.76 -0.00 0.00 0.00 175.17 175.61 1k93 s LEU 494 N 1.46 4.43 -0.10 1.23 1.02 -1.26 -0.81 118.68 124.65 1k93 s LEU 494 Ca 0.07 2.01 -0.19 0.00 0.02 0.00 0.00 54.13 56.04 1k93 s LEU 494 Cb -0.15 -3.59 -0.27 0.00 0.02 0.00 0.00 46.19 42.20 1k93 s LEU 494 CO 0.07 -0.31 0.63 0.15 0.02 0.00 0.00 176.35 176.91 1k93 h PHE 495 N 5.88 0.39 -3.41 0.29 3.04 0.16 -1.95 116.94 121.33 1k93 h PHE 495 Ca -0.43 -0.28 -0.03 0.00 3.98 0.00 0.00 57.97 61.20 1k93 h PHE 495 Cb 1.21 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.64 1k93 h PHE 495 CO 0.65 1.44 0.03 0.00 -2.02 0.00 0.00 178.31 178.41 1k93 s ALA 496 N -2.43 -0.51 -0.08 2.41 0.00 -0.74 -2.49 121.76 117.92 1k93 s ALA 496 Ca -0.19 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1k93 s ALA 496 Cb 0.03 0.96 0.04 0.00 0.00 0.00 0.00 23.12 24.15 1k93 s ALA 496 CO 0.76 -0.92 0.16 -0.51 0.00 0.00 0.00 175.76 175.24 1k93 s LEU 497 N -3.02 0.18 -0.30 0.00 1.43 -1.26 -2.21 118.68 113.50 1k93 s LEU 497 Ca 0.19 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1k93 s LEU 497 Cb -0.03 0.31 0.09 0.00 0.03 0.00 0.00 46.19 46.59 1k93 s LEU 497 CO 0.10 -0.21 0.03 0.00 0.23 0.00 0.00 176.35 176.49 1k93 s ALA 498 N 1.93 2.30 0.13 4.21 0.00 -0.17 -4.82 121.76 125.34 1k93 s ALA 498 Ca -0.01 -1.98 -0.05 0.00 0.00 0.00 0.00 51.96 49.92 1k93 s ALA 498 Cb -0.12 -1.73 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 1k93 s ALA 498 CO -0.06 -1.53 0.37 -1.25 0.00 0.00 0.00 175.76 173.29 1k93 s PRO 499 N 1.22 3.63 0.37 0.00 0.04 -1.24 0.45 135.00 139.47 1k93 s PRO 499 Ca 0.05 -0.07 -0.26 0.00 0.04 0.00 0.00 61.00 60.77 1k93 s PRO 499 Cb -0.19 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 1k93 s PRO 499 CO -0.12 0.48 1.11 -1.54 0.04 0.00 0.00 177.00 176.97 1k93 s SER 500 N -2.35 6.79 0.25 6.66 1.04 -1.12 0.19 113.70 125.15 1k93 s SER 500 Ca 0.40 2.22 -0.09 0.00 0.48 0.00 0.00 55.95 58.96 1k93 s SER 500 Cb -0.12 -2.61 0.39 0.00 0.10 0.00 0.00 66.02 63.78 1k93 s SER 500 CO 0.24 -0.48 1.60 -0.07 0.98 0.00 0.00 173.24 175.50 1k93 h LEU 501 N 2.88 -0.67 -0.64 2.42 -0.00 -1.85 0.30 115.31 117.75 1k93 h LEU 501 Ca -0.48 0.24 0.14 0.00 -0.00 0.00 0.00 57.88 57.77 1k93 h LEU 501 Cb 1.22 0.47 -0.11 0.00 -0.00 0.00 0.00 40.66 42.24 1k93 h LEU 501 CO 0.63 -0.26 -0.02 0.71 -0.00 0.00 0.00 178.44 179.51 1k93 h THR 502 N 0.02 0.45 0.00 0.22 1.35 -1.91 0.48 112.91 113.51 1k93 h THR 502 Ca 0.41 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 66.22 1k93 h THR 502 Cb 0.66 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1k93 h THR 502 CO -0.81 0.02 -0.04 -0.08 -0.25 0.00 0.00 175.52 174.36 1k93 h GLU 503 N 0.10 0.00 0.04 4.72 4.57 -0.75 -1.51 114.58 121.75 1k93 h GLU 503 Ca 0.34 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.26 1k93 h GLU 503 Cb 0.55 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1k93 h GLU 503 CO -0.57 0.04 -1.29 0.82 -1.18 0.00 0.00 179.01 176.84 1k93 h ILE 504 N 0.00 1.39 -0.50 2.32 2.04 0.40 -3.28 117.51 119.89 1k93 h ILE 504 Ca -0.00 -3.10 0.10 0.00 1.00 0.00 0.00 64.86 62.85 1k93 h ILE 504 Cb 0.10 2.75 -0.09 0.00 -0.74 0.00 0.00 36.82 38.84 1k93 h ILE 504 CO 0.00 0.83 -0.06 0.50 0.00 0.00 0.00 178.15 179.43 1k93 h LYS 505 N 0.02 0.06 0.00 2.37 1.63 0.05 0.56 116.57 121.26 1k93 h LYS 505 Ca -0.13 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1k93 h LYS 505 Cb 1.89 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 1k93 h LYS 505 CO 0.13 0.04 0.04 1.63 -3.45 0.00 0.00 179.45 177.84 1k93 n LYS 506 N -5.29 0.00 -0.01 1.90 5.02 -1.15 0.76 118.16 119.39 1k93 n LYS 506 Ca 0.05 0.13 0.10 0.00 -2.02 0.00 0.00 58.31 56.56 1k93 n LYS 506 Cb 0.27 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 1k93 n LYS 506 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1k93 n GLN 507 N -1.05 0.58 -3.21 1.97 -0.06 0.19 -4.93 117.38 110.88 1k93 n GLN 507 Ca 0.00 -0.11 -0.39 0.00 -2.00 0.00 0.00 57.00 54.50 1k93 n GLN 507 Cb 0.04 -1.46 -0.06 0.00 -4.06 0.00 0.00 30.24 24.70 1k93 n GLN 507 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1k93 s ILE 508 N -3.19 4.78 0.01 1.69 1.01 0.23 -4.98 121.20 120.74 1k93 s ILE 508 Ca -0.02 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.62 1k93 s ILE 508 Cb 0.14 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 1k93 s ILE 508 CO 0.83 0.49 1.56 -2.16 0.00 0.00 0.00 174.94 175.65 1k93 s PRO 509 N -0.67 4.22 0.00 2.79 0.04 -1.26 -4.87 135.00 135.25 1k93 s PRO 509 Ca 0.31 2.15 -0.00 0.00 0.04 0.00 0.00 61.00 63.50 1k93 s PRO 509 Cb -0.19 -3.70 -0.00 0.00 0.04 0.00 0.00 34.50 30.65 1k93 s PRO 509 CO 0.19 -0.71 0.17 0.94 0.04 0.00 0.00 177.00 177.63 1k93 n GLN 510 N 5.97 0.03 0.00 4.56 -0.06 -1.26 -1.19 117.38 125.42 1k93 n GLN 510 Ca 0.15 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.15 1k93 n GLN 510 Cb 0.42 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 1k93 n GLN 510 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1k93 n LYS 511 N 2.22 0.00 0.06 3.69 4.81 -1.26 -4.62 118.16 123.07 1k93 n LYS 511 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1k93 n LYS 511 Cb 0.02 -0.02 -0.13 0.00 0.02 0.00 0.00 35.03 34.91 1k93 n LYS 511 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1k93 h GLU 512 N 0.00 0.08 0.04 1.64 4.81 -1.54 -3.04 114.58 116.57 1k93 h GLU 512 Ca 0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1k93 h GLU 512 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1k93 h GLU 512 CO 0.00 1.01 -0.02 2.35 -0.73 0.00 0.00 179.01 181.62 1k93 h TRP 513 N 0.02 -0.05 -0.90 0.92 7.01 -1.82 -3.08 115.95 118.06 1k93 h TRP 513 Ca -0.09 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.05 1k93 h TRP 513 Cb 1.86 0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 28.85 1k93 h TRP 513 CO 0.02 0.59 0.51 -0.44 -2.79 0.00 0.00 178.44 176.33 1k93 h ASP 514 N -0.89 0.68 -0.79 2.65 3.32 -1.82 0.22 116.42 119.79 1k93 h ASP 514 Ca -0.01 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1k93 h ASP 514 Cb 0.67 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 1k93 h ASP 514 CO 0.01 0.31 0.46 0.50 -1.72 0.00 0.00 179.24 178.81 1k93 h LYS 515 N 0.75 0.80 0.11 3.56 3.64 -1.60 0.01 116.57 123.84 1k93 h LYS 515 Ca 0.48 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1k93 h LYS 515 Cb 0.61 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1k93 h LYS 515 CO -0.33 0.53 -0.05 0.28 -2.27 0.00 0.00 179.45 177.61 1k93 h VAL 516 N 0.83 0.00 -0.65 2.00 2.07 -0.63 -3.21 116.25 116.66 1k93 h VAL 516 Ca 0.36 -0.15 0.26 0.00 0.82 0.00 0.00 66.70 67.98 1k93 h VAL 516 Cb 0.23 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.88 1k93 h VAL 516 CO -0.20 0.00 0.31 0.52 0.02 0.00 0.00 177.57 178.23 1k93 n VAL 517 N -2.81 -0.27 -1.93 2.57 0.31 0.47 -0.91 118.33 115.76 1k93 n VAL 517 Ca -0.02 1.33 -0.38 0.00 -0.01 0.00 0.00 64.34 65.27 1k93 n VAL 517 Cb 0.06 -2.14 -0.01 0.00 -0.91 0.00 0.00 33.84 30.84 1k93 n VAL 517 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1k93 n ASN 518 N -4.51 7.77 -4.18 4.52 5.03 -0.02 -4.92 115.26 118.95 1k93 n ASN 518 Ca 0.24 -3.17 -0.29 0.00 0.87 0.00 0.00 54.58 52.22 1k93 n ASN 518 Cb 0.80 -1.33 -0.16 0.00 -1.02 0.00 0.00 39.78 38.06 1k93 n ASN 518 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1k93 s THR 519 N -1.45 1.75 0.07 3.41 2.01 -0.08 -4.91 115.64 116.43 1k93 s THR 519 Ca 0.54 -0.87 -0.28 0.00 0.31 0.00 0.00 61.69 61.39 1k93 s THR 519 Cb 0.22 -1.50 -0.17 0.00 0.01 0.00 0.00 72.50 71.06 1k93 s THR 519 CO -0.12 0.49 1.61 -0.65 -0.69 0.00 0.00 174.62 175.26 1k93 h PRO 520 N 6.40 -0.47 -6.47 4.92 0.11 -1.91 -3.42 132.00 131.16 1k93 h PRO 520 Ca -0.29 0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.32 1k93 h PRO 520 Cb 1.19 0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.42 1k93 h PRO 520 CO 0.47 -0.28 0.67 1.21 -0.21 0.00 0.00 178.00 179.87 1k93 s ASN 521 N -4.81 6.96 0.11 -2.05 3.84 -1.26 -4.93 114.94 112.80 1k93 s ASN 521 Ca -0.15 2.11 -0.07 0.00 0.21 0.00 0.00 52.86 54.95 1k93 s ASN 521 Cb 0.04 -2.58 -0.15 0.00 -0.55 0.00 0.00 41.25 38.01 1k93 s ASN 521 CO 0.63 -0.58 1.25 0.77 -2.79 0.00 0.00 177.10 176.38 1k93 h SER 522 N 7.05 0.64 -0.20 -4.21 4.64 -1.99 -2.43 113.55 117.05 1k93 h SER 522 Ca -0.40 -0.53 0.06 0.00 -0.47 0.00 0.00 61.79 60.45 1k93 h SER 522 Cb 1.20 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1k93 h SER 522 CO 0.85 1.33 0.15 0.25 -0.87 0.00 0.00 176.83 178.54 1k93 h LEU 523 N 0.26 0.00 0.00 5.97 5.85 -1.97 0.59 115.31 126.01 1k93 h LEU 523 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1k93 h LEU 523 Cb 1.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1k93 h LEU 523 CO 0.18 0.00 -0.94 1.21 -0.34 0.00 0.00 178.44 178.55 1k93 n GLU 524 N -4.45 0.19 0.04 1.25 4.07 -1.22 -3.85 120.64 116.67 1k93 n GLU 524 Ca 0.02 -0.01 -0.11 0.00 -0.06 0.00 0.00 57.16 57.01 1k93 n GLU 524 Cb 0.29 -1.56 -0.08 0.00 -0.06 0.00 0.00 31.44 30.03 1k93 n GLU 524 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1k93 h LYS 525 N 0.00 -0.18 0.15 5.31 3.64 0.57 -2.74 116.57 123.32 1k93 h LYS 525 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1k93 h LYS 525 Cb 0.65 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1k93 h LYS 525 CO 0.00 0.28 -0.24 1.96 -2.27 0.00 0.00 179.45 179.18 1k93 h GLN 526 N -0.85 -0.39 -0.88 1.90 4.20 -1.00 -0.76 115.11 117.32 1k93 h GLN 526 Ca -0.02 0.03 0.21 0.00 0.06 0.00 0.00 58.65 58.93 1k93 h GLN 526 Cb 0.54 0.09 -0.16 0.00 0.30 0.00 0.00 27.48 28.24 1k93 h GLN 526 CO 0.03 -0.26 -0.06 -0.22 -0.67 0.00 0.00 178.83 177.65 1k93 h LYS 527 N -0.41 0.04 0.00 1.46 3.64 -1.72 0.82 116.57 120.40 1k93 h LYS 527 Ca -0.02 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1k93 h LYS 527 Cb 0.38 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1k93 h LYS 527 CO -0.08 0.03 -0.06 0.78 -2.27 0.00 0.00 179.45 177.84 1k93 h GLY 528 N 0.04 0.00 0.28 5.01 0.00 -1.14 0.34 103.07 107.60 1k93 h GLY 528 Ca 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.65 1k93 h GLY 528 CO -0.84 0.00 -0.84 -2.08 0.00 0.00 0.00 176.54 172.78 1k93 h VAL 529 N 0.00 1.32 -0.98 4.60 2.07 0.19 -3.08 116.25 120.38 1k93 h VAL 529 Ca -0.00 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 65.18 1k93 h VAL 529 Cb 0.37 2.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.98 1k93 h VAL 529 CO 0.01 0.59 0.65 0.74 0.02 0.00 0.00 177.57 179.57 1k93 h THR 530 N -0.69 1.21 0.00 2.57 2.02 -0.08 0.12 112.91 118.06 1k93 h THR 530 Ca -0.19 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 1k93 h THR 530 Cb 1.40 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1k93 h THR 530 CO -0.00 0.23 -0.13 0.78 0.37 0.00 0.00 175.52 176.77 1k93 h ASN 531 N 1.28 0.00 0.35 4.18 -0.26 -0.44 -0.09 115.58 120.60 1k93 h ASN 531 Ca 0.38 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.88 1k93 h ASN 531 Cb -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1k93 h ASN 531 CO -0.10 0.13 -0.99 -0.07 -1.06 0.00 0.00 177.43 175.34 1k93 h LEU 532 N 0.00 0.55 -0.28 1.61 3.38 -0.73 -1.47 115.31 118.36 1k93 h LEU 532 Ca -0.00 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1k93 h LEU 532 Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1k93 h LEU 532 CO 0.02 1.26 0.07 0.25 0.09 0.00 0.00 178.44 180.13 1k93 h LEU 533 N 0.22 0.43 0.69 1.67 5.85 -0.42 -1.40 115.31 122.36 1k93 h LEU 533 Ca -0.09 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 1k93 h LEU 533 Cb 1.63 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 1k93 h LEU 533 CO 0.17 0.55 -0.39 0.40 -0.34 0.00 0.00 178.44 178.84 1k93 h ILE 534 N 0.29 0.21 -0.66 4.05 2.04 -1.03 -0.12 117.51 122.29 1k93 h ILE 534 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1k93 h ILE 534 Cb 0.29 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1k93 h ILE 534 CO 0.00 0.00 0.35 0.50 0.00 0.00 0.00 178.15 179.00 1k93 h LYS 535 N -1.01 0.61 -0.00 2.37 3.64 -1.21 0.20 116.57 121.17 1k93 h LYS 535 Ca -0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1k93 h LYS 535 Cb 0.80 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1k93 h LYS 535 CO 0.11 0.41 -0.88 0.66 -2.27 0.00 0.00 179.45 177.48 1k93 n TYR 536 N -4.83 0.00 0.00 1.91 4.01 -0.53 -4.64 117.16 113.07 1k93 n TYR 536 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1k93 n TYR 536 Cb 0.20 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1k93 n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k93 n GLY 537 N 1.48 0.00 0.03 2.72 0.00 -0.11 -4.75 105.19 104.56 1k93 n GLY 537 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1k93 n GLY 537 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k93 h ILE 538 N 0.00 0.00 -1.28 -0.61 5.03 -0.76 -3.48 117.51 116.41 1k93 h ILE 538 Ca 0.00 -0.56 -0.70 0.00 -0.12 0.00 0.00 64.86 63.48 1k93 h ILE 538 Cb 0.64 0.00 0.09 0.00 -3.03 0.00 0.00 36.82 34.52 1k93 h ILE 538 CO 0.00 0.00 -0.15 1.21 -0.68 0.00 0.00 178.15 178.53 1k93 n GLU 539 N -3.56 0.32 -4.26 2.37 2.13 0.64 -4.90 120.64 113.37 1k93 n GLU 539 Ca -0.01 0.11 -0.20 0.00 0.66 0.00 0.00 57.16 57.72 1k93 n GLU 539 Cb 0.04 -1.39 -0.12 0.00 0.27 0.00 0.00 31.44 30.25 1k93 n GLU 539 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1k93 s ARG 540 N -0.61 1.07 0.03 5.31 0.52 -1.26 -4.44 118.95 119.57 1k93 s ARG 540 Ca 0.74 -1.22 -0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1k93 s ARG 540 Cb -1.00 -1.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.35 1k93 s ARG 540 CO 0.56 0.23 -0.03 0.15 0.02 0.00 0.00 175.30 176.22 1k93 s LYS 541 N -2.40 0.37 0.10 3.54 1.02 -0.77 -4.89 119.74 116.70 1k93 s LYS 541 Ca 0.08 -0.71 -0.31 0.00 0.02 0.00 0.00 55.97 55.05 1k93 s LYS 541 Cb -0.07 0.10 -0.07 0.00 -0.52 0.00 0.00 37.83 37.28 1k93 s LYS 541 CO 0.04 -0.05 1.27 -1.25 -0.92 0.00 0.00 175.35 174.43 1k93 s PRO 542 N -1.86 4.40 0.16 -1.68 0.04 -1.26 -1.84 135.00 132.96 1k93 s PRO 542 Ca -0.12 1.90 0.08 0.00 0.04 0.00 0.00 61.00 62.90 1k93 s PRO 542 Cb -0.07 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1k93 s PRO 542 CO -0.02 -0.29 -0.09 0.34 0.04 0.00 0.00 177.00 176.98 1k93 s ASP 543 N 0.92 4.35 0.09 6.66 2.15 -0.54 -4.93 116.67 125.36 1k93 s ASP 543 Ca 0.60 -0.50 -0.22 0.00 0.43 0.00 0.00 52.55 52.86 1k93 s ASP 543 Cb -0.33 -0.79 -0.07 0.00 -0.30 0.00 0.00 42.92 41.44 1k93 s ASP 543 CO 0.31 0.12 1.36 0.77 -0.17 0.00 0.00 175.17 177.56 1k93 h SER 544 N 3.11 -1.23 0.00 -0.34 4.64 -1.96 -3.12 113.55 114.64 1k93 h SER 544 Ca -0.47 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1k93 h SER 544 Cb 1.19 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1k93 h SER 544 CO 0.54 -0.26 -1.09 0.35 -0.87 0.00 0.00 176.83 175.50 1k93 n THR 545 N -4.45 0.00 0.74 2.95 -2.24 -1.26 -4.51 114.28 105.51 1k93 n THR 545 Ca -0.02 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.59 1k93 n THR 545 Cb 0.22 0.51 0.17 0.00 -2.10 0.00 0.00 70.33 69.14 1k93 n THR 545 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k93 n LYS 546 N -1.61 1.95 0.00 -0.78 5.02 -1.26 -4.41 118.16 117.07 1k93 n LYS 546 Ca -0.01 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.89 1k93 n LYS 546 Cb 0.19 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1k93 n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k93 n GLY 547 N 1.07 0.67 3.65 0.72 0.00 -1.18 -0.52 105.19 109.61 1k93 n GLY 547 Ca 0.13 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1k93 n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k93 s THR 548 N 0.00 4.51 0.19 2.61 2.01 -1.26 -1.47 115.64 122.22 1k93 s THR 548 Ca 0.00 1.79 -0.14 0.00 0.31 0.00 0.00 61.69 63.66 1k93 s THR 548 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1k93 s THR 548 CO 0.00 -0.27 0.42 -1.48 -0.69 0.00 0.00 174.62 172.60 1k93 s LEU 549 N 3.48 0.46 0.00 4.42 0.05 -0.76 -4.51 118.68 121.82 1k93 s LEU 549 Ca 0.48 -0.67 -0.02 0.00 0.05 0.00 0.00 54.13 53.96 1k93 s LEU 549 Cb -0.16 1.73 0.09 0.00 -2.05 0.00 0.00 46.19 45.80 1k93 s LEU 549 CO 0.12 -0.99 0.58 -1.54 -0.55 0.00 0.00 176.35 173.96 1k93 n SER 550 N -0.29 0.55 0.11 1.48 3.41 -1.26 -1.84 113.62 115.77 1k93 n SER 550 Ca -0.08 -1.52 -0.23 0.00 -0.26 0.00 0.00 58.87 56.78 1k93 n SER 550 Cb 0.63 -0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 64.03 1k93 n SER 550 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1k93 h ASN 551 N -0.48 0.68 0.35 4.04 2.35 -1.91 -2.79 115.58 117.83 1k93 h ASN 551 Ca -0.19 -0.84 -0.02 0.00 -0.55 0.00 0.00 56.30 54.69 1k93 h ASN 551 Cb 0.65 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1k93 h ASN 551 CO 0.18 1.68 -0.11 4.11 -1.65 0.00 0.00 177.43 181.65 1k93 h TRP 552 N 0.12 0.00 -0.08 1.19 5.08 -1.95 -1.75 115.95 118.57 1k93 h TRP 552 Ca -0.28 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 59.46 1k93 h TRP 552 Cb 2.11 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 28.29 1k93 h TRP 552 CO 0.11 0.11 -0.87 1.96 -1.28 0.00 0.00 178.44 178.47 1k93 h GLN 553 N 0.00 0.72 -0.79 0.12 4.20 -1.95 -1.58 115.11 115.84 1k93 h GLN 553 Ca -0.00 -0.68 0.01 0.00 0.06 0.00 0.00 58.65 58.05 1k93 h GLN 553 Cb 0.32 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1k93 h GLN 553 CO 0.01 1.27 0.52 0.87 -0.67 0.00 0.00 178.83 180.83 1k93 h LYS 554 N 0.42 1.02 -0.19 1.46 1.57 -1.05 0.36 116.57 120.15 1k93 h LYS 554 Ca -0.09 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1k93 h LYS 554 Cb 1.51 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1k93 h LYS 554 CO 0.17 0.67 -0.02 1.96 -0.57 0.00 0.00 179.45 181.67 1k93 h GLN 555 N 1.05 0.36 -0.79 3.15 4.20 -1.34 -1.13 115.11 120.60 1k93 h GLN 555 Ca 0.30 -0.12 0.08 0.00 0.06 0.00 0.00 58.65 58.96 1k93 h GLN 555 Cb -0.09 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.60 1k93 h GLN 555 CO -0.08 0.58 0.46 1.98 -0.67 0.00 0.00 178.83 181.10 1k93 h MET 556 N 0.09 0.78 0.51 1.46 4.05 -0.79 0.43 114.93 121.45 1k93 h MET 556 Ca 0.05 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1k93 h MET 556 Cb 0.43 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1k93 h MET 556 CO 0.01 0.51 -0.48 1.25 0.23 0.00 0.00 176.91 178.44 1k93 h LEU 557 N 0.80 -1.29 -0.62 3.39 5.85 0.10 -0.72 115.31 122.82 1k93 h LEU 557 Ca 0.37 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.29 1k93 h LEU 557 Cb 0.29 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1k93 h LEU 557 CO -0.22 -0.65 0.22 0.44 -0.34 0.00 0.00 178.44 177.89 1k93 h ASP 558 N -0.98 0.20 0.03 1.25 5.19 -0.35 -1.43 116.42 120.33 1k93 h ASP 558 Ca -0.06 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1k93 h ASP 558 Cb 0.85 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.39 1k93 h ASP 558 CO -0.04 0.12 -0.26 0.03 -3.12 0.00 0.00 179.24 175.96 1k93 h ARG 559 N 0.39 -0.40 -0.45 3.56 2.47 0.16 -0.66 114.38 119.44 1k93 h ARG 559 Ca 0.31 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 59.15 1k93 h ARG 559 Cb 0.41 0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.75 1k93 h ARG 559 CO -0.32 -0.27 0.02 -0.07 0.56 0.00 0.00 179.97 179.88 1k93 h LEU 560 N -0.42 -0.16 -0.95 3.04 3.38 -0.41 0.14 115.31 119.93 1k93 h LEU 560 Ca 0.05 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1k93 h LEU 560 Cb 0.48 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1k93 h LEU 560 CO -0.21 -0.04 0.01 0.78 0.09 0.00 0.00 178.44 179.07 1k93 h ASN 561 N 0.13 0.74 -0.15 -0.43 2.35 -1.03 -2.73 115.58 114.46 1k93 h ASN 561 Ca 0.23 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1k93 h ASN 561 Cb 0.33 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1k93 h ASN 561 CO -0.36 0.80 0.10 -0.33 -1.65 0.00 0.00 177.43 175.98 1k93 h GLU 562 N 0.72 0.20 -0.63 0.81 5.08 0.06 -1.74 114.58 119.09 1k93 h GLU 562 Ca 0.14 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.62 1k93 h GLU 562 Cb 0.43 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 1k93 h GLU 562 CO 0.02 0.16 0.07 0.00 -1.00 0.00 0.00 179.01 178.25 1k93 h ALA 563 N 1.04 0.69 -0.00 3.43 0.00 -0.47 -0.99 119.26 122.96 1k93 h ALA 563 Ca 0.06 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1k93 h ALA 563 Cb -0.00 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1k93 h ALA 563 CO -0.01 -0.36 -0.80 -0.39 0.00 0.00 0.00 179.25 177.68 1k93 h VAL 564 N 0.18 1.55 -0.60 0.00 -1.51 -1.35 -2.94 116.25 111.59 1k93 h VAL 564 Ca 0.33 -2.67 -0.03 0.00 -1.23 0.00 0.00 66.70 63.10 1k93 h VAL 564 Cb 0.54 2.45 -0.03 0.00 -2.13 0.00 0.00 31.29 32.12 1k93 h VAL 564 CO -0.49 0.77 0.23 0.11 -1.23 0.00 0.00 177.57 176.96 1k93 h LYS 565 N 0.03 0.87 -0.14 5.19 1.57 -0.49 -1.84 116.57 121.75 1k93 h LYS 565 Ca -0.02 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1k93 h LYS 565 Cb 1.41 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1k93 h LYS 565 CO 0.11 0.71 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.71 1k93 h TYR 566 N 0.86 0.22 0.00 -1.35 3.20 -1.03 -2.17 116.97 116.69 1k93 h TYR 566 Ca 0.20 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1k93 h TYR 566 Cb 0.17 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1k93 h TYR 566 CO 0.01 0.29 -0.28 1.79 -1.64 0.00 0.00 178.16 178.34 1k93 h THR 567 N 0.21 0.53 0.00 1.81 1.35 -1.31 -3.47 112.91 112.02 1k93 h THR 567 Ca 0.05 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1k93 h THR 567 Cb 0.27 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1k93 h THR 567 CO 0.01 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 1k93 n GLY 568 N 0.80 1.23 3.66 5.82 0.00 -0.82 -5.09 105.19 110.78 1k93 n GLY 568 Ca 0.02 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.48 1k93 n GLY 568 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k93 n TYR 569 N 0.00 1.99 -0.82 1.61 9.36 -1.04 -4.82 117.16 123.44 1k93 n TYR 569 Ca 0.00 0.47 0.08 0.00 3.32 0.00 0.00 57.90 61.77 1k93 n TYR 569 Cb 0.00 -2.48 0.28 0.00 -0.63 0.00 0.00 39.34 36.51 1k93 n TYR 569 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1k93 n THR 570 N 5.09 2.12 1.04 2.97 -2.24 -1.26 -4.46 114.28 117.54 1k93 n THR 570 Ca 0.29 -1.60 0.12 0.00 -2.27 0.00 0.00 64.05 60.59 1k93 n THR 570 Cb 0.15 -0.10 0.15 0.00 -2.10 0.00 0.00 70.33 68.43 1k93 n THR 570 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k93 n GLY 571 N 0.01 -0.95 0.00 3.38 0.00 -1.25 -5.01 105.19 101.37 1k93 n GLY 571 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1k93 n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k93 n GLY 572 N 1.46 0.52 3.83 -0.02 0.00 -1.26 -4.56 105.19 105.16 1k93 n GLY 572 Ca 0.07 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1k93 n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k93 s ASP 573 N -4.00 6.95 -0.00 1.61 1.01 -1.26 -4.87 116.67 116.10 1k93 s ASP 573 Ca 0.00 1.42 0.06 0.00 0.71 0.00 0.00 52.55 54.74 1k93 s ASP 573 Cb 0.00 -2.43 -0.07 0.00 1.01 0.00 0.00 42.92 41.43 1k93 s ASP 573 CO 0.00 -0.12 0.19 0.55 0.21 0.00 0.00 175.17 176.00 1k93 n VAL 574 N 0.10 0.00 -4.43 -1.27 3.14 -1.26 -4.34 118.33 110.27 1k93 n VAL 574 Ca 0.02 -0.26 -0.29 0.00 -2.96 0.00 0.00 64.34 60.85 1k93 n VAL 574 Cb 0.52 0.71 -0.17 0.00 -1.06 0.00 0.00 33.84 33.84 1k93 n VAL 574 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1k93 s VAL 575 N -1.93 1.51 0.00 1.55 1.01 -1.26 -0.60 120.40 120.67 1k93 s VAL 575 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1k93 s VAL 575 Cb 0.04 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1k93 s VAL 575 CO 0.23 0.44 0.89 0.59 0.00 0.00 0.00 175.10 177.26 1k93 n ASN 576 N 4.24 1.69 -3.57 3.32 3.02 -1.26 -4.94 115.26 117.76 1k93 n ASN 576 Ca -0.19 -1.79 -0.01 0.00 -0.03 0.00 0.00 54.58 52.56 1k93 n ASN 576 Cb 0.51 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.69 1k93 n ASN 576 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1k93 s HIS 577 N -0.79 0.02 0.00 3.10 -3.43 -1.26 -4.37 115.29 108.55 1k93 s HIS 577 Ca 0.00 -0.29 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 1k93 s HIS 577 Cb 0.00 0.63 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 1k93 s HIS 577 CO 0.00 -0.64 0.00 0.41 -2.00 0.00 0.00 174.74 172.51 1k93 n GLY 578 N -0.70 -3.00 3.99 -1.38 0.00 0.32 -4.83 105.19 99.60 1k93 n GLY 578 Ca -0.02 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 1k93 n GLY 578 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k93 s THR 579 N -0.38 3.54 0.54 2.61 -4.23 -1.26 -4.56 115.64 111.90 1k93 s THR 579 Ca 0.00 -0.90 0.39 0.00 -1.18 0.00 0.00 61.69 60.00 1k93 s THR 579 Cb 0.00 -3.23 0.41 0.00 1.34 0.00 0.00 72.50 71.02 1k93 s THR 579 CO 0.00 -0.11 2.26 -0.08 -0.54 0.00 0.00 174.62 176.16 1k93 h GLU 580 N 0.66 0.00 0.00 3.99 4.57 -1.03 -2.30 114.58 120.47 1k93 h GLU 580 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1k93 h GLU 580 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1k93 h GLU 580 CO 0.51 0.01 0.00 1.04 -1.18 0.00 0.00 179.01 179.39 1k93 n GLN 581 N -3.26 0.24 -0.08 1.92 1.13 -1.20 -1.86 117.38 114.28 1k93 n GLN 581 Ca -0.02 0.12 0.04 0.00 -1.94 0.00 0.00 57.00 55.20 1k93 n GLN 581 Cb 0.13 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.06 1k93 n GLN 581 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1k93 n ASP 582 N -1.29 2.29 -4.40 1.08 8.00 -0.86 -3.80 116.55 117.57 1k93 n ASP 582 Ca 0.08 -1.73 -0.45 0.00 0.71 0.00 0.00 54.79 53.40 1k93 n ASP 582 Cb 0.14 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1k93 n ASP 582 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1k93 s ASN 583 N -0.88 7.05 0.20 -2.24 2.47 -0.78 -4.83 114.94 115.94 1k93 s ASN 583 Ca 0.14 -3.02 0.19 0.00 0.42 0.00 0.00 52.86 50.60 1k93 s ASN 583 Cb 0.08 -2.30 0.01 0.00 -1.45 0.00 0.00 41.25 37.59 1k93 s ASN 583 CO 0.11 -0.60 1.12 -0.33 -3.72 0.00 0.00 177.10 173.68 1k93 h GLU 584 N 7.33 0.00 0.08 0.43 5.08 -1.86 -3.25 114.58 122.39 1k93 h GLU 584 Ca 0.21 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1k93 h GLU 584 Cb 0.92 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1k93 h GLU 584 CO 1.07 0.18 -0.64 0.93 -1.00 0.00 0.00 179.01 179.54 1k93 h GLU 585 N 0.00 0.17 -2.19 2.33 5.08 -1.98 -3.40 114.58 114.59 1k93 h GLU 585 Ca -0.05 -0.29 -0.58 0.00 -1.00 0.00 0.00 59.36 57.44 1k93 h GLU 585 Cb 1.26 0.11 -0.41 0.00 0.50 0.00 0.00 28.75 30.20 1k93 h GLU 585 CO 0.03 1.14 -0.74 1.19 -1.00 0.00 0.00 179.01 179.62 1k93 n PHE 586 N -4.29 3.01 -2.06 4.33 3.01 -1.26 -1.19 117.46 119.01 1k93 n PHE 586 Ca -0.15 -3.99 -0.43 0.00 1.01 0.00 0.00 57.45 53.89 1k93 n PHE 586 Cb 0.70 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 39.66 1k93 n PHE 586 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1k93 s PRO 587 N -2.78 4.03 0.89 -1.08 0.04 -1.22 -4.99 135.00 129.88 1k93 s PRO 587 Ca 0.43 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 1k93 s PRO 587 Cb 0.23 -4.00 0.15 0.00 0.04 0.00 0.00 34.50 30.93 1k93 s PRO 587 CO -0.09 -1.02 1.25 -1.21 0.04 0.00 0.00 177.00 175.98 1k93 s GLU 588 N 4.28 1.18 -0.28 4.56 0.41 -1.26 -4.89 118.70 122.69 1k93 s GLU 588 Ca 0.72 -0.24 0.01 0.00 -0.41 0.00 0.00 54.97 55.05 1k93 s GLU 588 Cb -0.30 -1.91 0.16 0.00 -1.78 0.00 0.00 34.13 30.30 1k93 s GLU 588 CO 0.28 -2.07 0.42 0.21 -0.49 0.00 0.00 175.26 173.61 1k93 s LYS 589 N -5.74 0.41 0.16 1.61 2.20 -1.26 -5.07 119.74 112.04 1k93 s LYS 589 Ca 0.69 0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 56.53 1k93 s LYS 589 Cb -0.07 -0.29 -0.06 0.00 -1.51 0.00 0.00 37.83 35.91 1k93 s LYS 589 CO 0.51 -0.91 0.42 -0.51 -0.36 0.00 0.00 175.35 174.49 1k93 s ASP 590 N 2.57 6.53 0.08 1.43 1.01 -1.26 -5.01 116.67 122.03 1k93 s ASP 590 Ca 0.11 0.68 -0.13 0.00 0.71 0.00 0.00 52.55 53.92 1k93 s ASP 590 Cb -0.13 -2.13 -0.21 0.00 1.01 0.00 0.00 42.92 41.46 1k93 s ASP 590 CO -0.26 0.04 1.21 0.78 0.21 0.00 0.00 175.17 177.15 1k93 h ASN 591 N 2.85 0.87 -3.16 0.27 2.35 -1.95 -3.39 115.58 113.41 1k93 h ASN 591 Ca -0.46 -0.69 -0.67 0.00 -0.55 0.00 0.00 56.30 53.93 1k93 h ASN 591 Cb 1.17 -0.27 -0.34 0.00 0.05 0.00 0.00 38.32 38.93 1k93 h ASN 591 CO 0.71 1.49 -0.84 -1.61 -1.65 0.00 0.00 177.43 175.53 1k93 s GLU 592 N -3.33 2.96 -0.15 0.81 2.02 -1.26 -2.44 118.70 117.31 1k93 s GLU 592 Ca -0.09 -0.86 -0.06 0.00 0.02 0.00 0.00 54.97 53.97 1k93 s GLU 592 Cb 0.07 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1k93 s GLU 592 CO 0.91 -0.24 0.07 0.42 0.02 0.00 0.00 175.26 176.45 1k93 s ILE 593 N 1.29 4.92 -0.35 -1.63 -1.09 -1.24 -4.06 121.20 119.03 1k93 s ILE 593 Ca 0.04 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.28 1k93 s ILE 593 Cb -0.14 -3.17 -0.00 0.00 -1.58 0.00 0.00 42.46 37.57 1k93 s ILE 593 CO -0.11 0.52 0.53 0.12 -1.23 0.00 0.00 174.94 174.77 1k93 s PHE 594 N -0.20 3.18 -0.04 3.97 5.36 -0.91 -1.51 117.98 127.83 1k93 s PHE 594 Ca 0.08 0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 56.24 1k93 s PHE 594 Cb -0.12 -2.95 -0.04 0.00 -0.34 0.00 0.00 43.02 39.58 1k93 s PHE 594 CO 0.01 -0.55 0.05 0.42 -1.46 0.00 0.00 175.22 173.70 1k93 s ILE 595 N 2.43 4.61 -0.22 3.12 1.01 0.31 -0.58 121.20 131.87 1k93 s ILE 595 Ca 0.19 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 1k93 s ILE 595 Cb -0.15 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.34 1k93 s ILE 595 CO 0.13 0.47 -0.03 -0.63 0.00 0.00 0.00 174.94 174.88 1k93 s ILE 596 N -1.06 1.25 0.49 2.92 1.01 -0.02 -1.01 121.20 124.78 1k93 s ILE 596 Ca 0.18 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1k93 s ILE 596 Cb -0.12 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1k93 s ILE 596 CO 0.08 -0.11 0.82 0.54 0.00 0.00 0.00 174.94 176.28 1k93 s ASN 597 N 1.53 6.29 0.39 3.58 2.20 -1.04 -0.86 114.94 127.02 1k93 s ASN 597 Ca -0.04 1.02 0.09 0.00 -0.94 0.00 0.00 52.86 52.99 1k93 s ASN 597 Cb -0.18 -2.29 0.49 0.00 -2.00 0.00 0.00 41.25 37.27 1k93 s ASN 597 CO -0.07 -0.60 1.14 1.55 -2.94 0.00 0.00 177.10 176.19 1k93 h PRO 598 N 0.26 0.00 0.00 3.55 0.13 -1.81 1.09 132.00 135.22 1k93 h PRO 598 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k93 h PRO 598 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1k93 h PRO 598 CO 0.62 0.00 -0.19 0.93 -0.23 0.00 0.00 178.00 179.12 1k93 h GLU 599 N 0.00 0.00 0.00 0.86 3.07 -1.91 -3.09 114.58 113.51 1k93 h GLU 599 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1k93 h GLU 599 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1k93 h GLU 599 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1k93 n GLY 600 N 1.20 0.68 3.77 -3.84 0.00 0.37 -4.91 105.19 102.46 1k93 n GLY 600 Ca 0.04 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1k93 n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k93 s GLU 601 N -1.02 4.08 -0.08 1.61 2.02 -1.24 -4.88 118.70 119.19 1k93 s GLU 601 Ca 0.00 0.15 -0.26 0.00 0.02 0.00 0.00 54.97 54.89 1k93 s GLU 601 Cb 0.00 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 1k93 s GLU 601 CO 0.00 0.40 0.82 -0.06 0.02 0.00 0.00 175.26 176.44 1k93 s PHE 602 N -0.05 3.55 0.13 1.61 2.99 -1.26 -2.48 117.98 122.47 1k93 s PHE 602 Ca 0.18 1.37 0.05 0.00 0.00 0.00 0.00 56.93 58.54 1k93 s PHE 602 Cb -0.14 -2.96 -0.04 0.00 0.00 0.00 0.00 43.02 39.89 1k93 s PHE 602 CO 0.06 -0.05 -0.12 0.42 -0.00 0.00 0.00 175.22 175.53 1k93 s ILE 603 N 1.30 1.25 -0.19 0.64 -1.09 -0.18 -2.01 121.20 120.92 1k93 s ILE 603 Ca 0.42 -1.82 -0.05 0.00 -2.23 0.00 0.00 60.65 56.97 1k93 s ILE 603 Cb -0.18 -1.61 0.09 0.00 -1.58 0.00 0.00 42.46 39.18 1k93 s ILE 603 CO 0.19 -0.54 0.33 -0.22 -1.23 0.00 0.00 174.94 173.48 1k93 s LEU 604 N -2.68 -0.47 0.44 2.97 0.20 -1.06 -0.53 118.68 117.55 1k93 s LEU 604 Ca 0.11 0.55 -0.22 0.00 0.69 0.00 0.00 54.13 55.26 1k93 s LEU 604 Cb -0.02 0.97 -0.09 0.00 -0.43 0.00 0.00 46.19 46.62 1k93 s LEU 604 CO 0.02 -0.26 1.03 0.42 -0.29 0.00 0.00 176.35 177.27 1k93 s THR 605 N 2.50 3.82 -0.02 3.68 -4.23 -0.57 -2.26 115.64 118.56 1k93 s THR 605 Ca 0.04 1.24 0.12 0.00 -1.18 0.00 0.00 61.69 61.90 1k93 s THR 605 Cb -0.13 -3.56 -0.22 0.00 1.34 0.00 0.00 72.50 69.93 1k93 s THR 605 CO -0.12 -0.14 0.80 0.11 -0.54 0.00 0.00 174.62 174.72 1k93 h LYS 606 N 1.99 0.00 -2.47 3.99 1.79 -1.79 -3.31 116.57 116.78 1k93 h LYS 606 Ca -0.49 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.92 1k93 h LYS 606 Cb 1.21 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.69 1k93 h LYS 606 CO 0.61 0.58 0.08 0.54 -1.08 0.00 0.00 179.45 180.18 1k93 s ASN 607 N -6.20 -0.52 0.16 0.86 4.22 -1.02 -4.39 114.94 108.05 1k93 s ASN 607 Ca -0.03 0.40 -0.16 0.00 -2.14 0.00 0.00 52.86 50.93 1k93 s ASN 607 Cb 0.08 0.50 0.12 0.00 1.28 0.00 0.00 41.25 43.23 1k93 s ASN 607 CO 0.82 -0.65 1.15 1.87 -2.04 0.00 0.00 177.10 178.25 1k93 n TRP 608 N 0.69 -0.07 -0.33 1.54 -0.00 -1.21 0.23 117.44 118.30 1k93 n TRP 608 Ca -0.19 0.92 0.09 0.00 -0.00 0.00 0.00 57.50 58.31 1k93 n TRP 608 Cb 0.59 -0.72 0.29 0.00 -0.00 0.00 0.00 31.31 31.46 1k93 n TRP 608 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1k93 h GLU 609 N 0.00 0.87 -0.36 5.87 3.07 -1.96 0.33 114.58 122.40 1k93 h GLU 609 Ca 0.22 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 1k93 h GLU 609 Cb 0.41 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1k93 h GLU 609 CO -0.73 0.57 -0.14 1.98 -1.40 0.00 0.00 179.01 179.30 1k93 h MET 610 N 0.89 0.73 -0.81 2.33 4.05 0.24 -2.50 114.93 119.86 1k93 h MET 610 Ca 0.48 -0.30 0.11 0.00 -0.28 0.00 0.00 59.70 59.70 1k93 h MET 610 Cb 0.56 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.28 1k93 h MET 610 CO -0.24 0.91 0.53 1.15 0.23 0.00 0.00 176.91 179.48 1k93 h THR 611 N 0.52 0.91 0.00 -0.77 2.02 0.11 -0.65 112.91 115.05 1k93 h THR 611 Ca 0.08 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 1k93 h THR 611 Cb 0.67 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1k93 h THR 611 CO 0.05 0.13 -0.52 1.23 0.37 0.00 0.00 175.52 176.78 1k93 h GLY 612 N 0.70 0.00 1.17 2.16 0.00 -0.74 -2.53 103.07 103.82 1k93 h GLY 612 Ca 0.38 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.44 1k93 h GLY 612 CO -0.15 0.00 -1.09 3.21 0.00 0.00 0.00 176.54 178.51 1k93 h ARG 613 N 0.00 0.64 -0.65 4.80 3.08 -0.81 -2.19 114.38 119.25 1k93 h ARG 613 Ca -0.01 -0.77 -0.01 0.00 0.07 0.00 0.00 59.98 59.27 1k93 h ARG 613 Cb 1.03 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1k93 h ARG 613 CO 0.07 1.33 0.36 0.35 -1.07 0.00 0.00 179.97 181.02 1k93 h PHE 614 N 0.28 0.87 0.00 3.04 3.57 -1.13 0.13 116.94 123.70 1k93 h PHE 614 Ca -0.15 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.20 1k93 h PHE 614 Cb 1.76 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 1k93 h PHE 614 CO 0.12 0.60 -0.65 0.82 -2.23 0.00 0.00 178.31 176.96 1k93 h ILE 615 N 0.90 1.19 -0.06 1.41 2.04 -1.47 -2.60 117.51 118.92 1k93 h ILE 615 Ca 0.23 -2.49 -0.21 0.00 1.00 0.00 0.00 64.86 63.38 1k93 h ILE 615 Cb 0.01 2.46 0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1k93 h ILE 615 CO -0.04 0.64 -0.80 -0.08 0.00 0.00 0.00 178.15 177.87 1k93 h GLU 616 N 0.00 0.65 0.00 2.37 4.81 -0.70 -0.49 114.58 121.22 1k93 h GLU 616 Ca -0.01 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 1k93 h GLU 616 Cb 1.41 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1k93 h GLU 616 CO 0.08 1.22 -0.61 1.17 -0.73 0.00 0.00 179.01 180.15 1k93 n LYS 617 N -4.01 0.16 0.00 1.92 0.00 -0.03 -2.92 118.16 113.27 1k93 n LYS 617 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.25 1k93 n LYS 617 Cb 0.76 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1k93 n LYS 617 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1k93 n ASN 618 N -1.81 0.47 0.00 3.14 4.13 -0.98 -4.72 115.26 115.49 1k93 n ASN 618 Ca 0.04 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.35 1k93 n ASN 618 Cb 0.39 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 1k93 n ASN 618 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1k93 n ILE 619 N -0.03 0.00 0.27 2.41 5.41 -0.93 -4.52 119.36 121.97 1k93 n ILE 619 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 1k93 n ILE 619 Cb 0.12 -0.29 0.15 0.00 -0.71 0.00 0.00 39.64 38.90 1k93 n ILE 619 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1k93 n THR 620 N -1.59 1.06 0.52 1.39 -2.24 -0.24 -1.67 114.28 111.51 1k93 n THR 620 Ca 0.00 0.27 0.06 0.00 -2.27 0.00 0.00 64.05 62.10 1k93 n THR 620 Cb 0.00 -1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 67.00 1k93 n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k93 n GLY 621 N -0.79 -0.16 2.61 3.38 0.00 -1.15 -4.72 105.19 104.36 1k93 n GLY 621 Ca 0.03 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1k93 n GLY 621 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k93 n LYS 622 N -1.33 2.96 -3.58 1.61 4.76 -0.67 -4.97 118.16 116.93 1k93 n LYS 622 Ca 0.02 -4.39 -0.21 0.00 -2.87 0.00 0.00 58.31 50.86 1k93 n LYS 622 Cb 0.20 -2.09 0.05 0.00 -1.84 0.00 0.00 35.03 31.34 1k93 n LYS 622 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1k93 n ASP 623 N -0.32 -2.76 -4.22 4.39 8.00 -1.25 -4.86 116.55 115.53 1k93 n ASP 623 Ca 0.32 -0.80 -0.15 0.00 0.71 0.00 0.00 54.79 54.87 1k93 n ASP 623 Cb 0.60 -4.31 -0.11 0.00 -0.02 0.00 0.00 41.12 37.29 1k93 n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1k93 s TYR 624 N -3.55 1.23 -0.19 1.24 1.51 -1.22 -3.14 117.35 113.23 1k93 s TYR 624 Ca 0.14 -0.65 -0.25 0.00 -1.01 0.00 0.00 57.07 55.30 1k93 s TYR 624 Cb -0.03 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 1k93 s TYR 624 CO 0.79 0.07 0.84 -1.17 -1.11 0.00 0.00 175.55 174.98 1k93 s LEU 625 N -2.66 4.15 -0.03 -1.29 2.96 0.50 -4.73 118.68 117.57 1k93 s LEU 625 Ca 0.10 1.15 -0.06 0.00 -0.22 0.00 0.00 54.13 55.09 1k93 s LEU 625 Cb -0.02 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.44 1k93 s LEU 625 CO 0.01 -0.44 0.15 -0.47 -1.32 0.00 0.00 176.35 174.28 1k93 s TYR 626 N 2.39 -0.08 -0.04 5.38 5.04 -1.26 -3.61 117.35 125.17 1k93 s TYR 626 Ca 0.38 0.19 -0.03 0.00 -2.44 0.00 0.00 57.07 55.16 1k93 s TYR 626 Cb -0.16 0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.17 1k93 s TYR 626 CO 0.11 -0.17 0.10 1.52 -1.34 0.00 0.00 175.55 175.76 1k93 s TYR 627 N -0.56 -0.11 0.08 4.97 -0.85 -1.26 -5.06 117.35 114.57 1k93 s TYR 627 Ca -0.06 0.28 0.01 0.00 -0.52 0.00 0.00 57.07 56.77 1k93 s TYR 627 Cb -0.04 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 1k93 s TYR 627 CO 0.01 -0.06 0.21 -0.59 -1.52 0.00 0.00 175.55 173.60 1k93 s PHE 628 N 0.17 3.47 0.01 -3.49 -0.12 -1.26 -4.95 117.98 111.81 1k93 s PHE 628 Ca -0.01 0.20 -0.36 0.00 -0.05 0.00 0.00 56.93 56.71 1k93 s PHE 628 Cb -0.02 -1.72 -0.18 0.00 -0.63 0.00 0.00 43.02 40.47 1k93 s PHE 628 CO -0.00 0.57 0.95 -1.71 -0.05 0.00 0.00 175.22 174.97 1k93 n ASN 629 N 0.09 -0.06 0.26 1.98 5.15 -1.25 -4.85 115.26 116.58 1k93 n ASN 629 Ca -0.06 1.05 0.15 0.00 -0.60 0.00 0.00 54.58 55.12 1k93 n ASN 629 Cb 0.52 -0.84 0.66 0.00 -0.53 0.00 0.00 39.78 39.59 1k93 n ASN 629 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1k93 h ARG 630 N 2.64 0.00 -0.01 1.20 3.08 -1.96 -2.70 114.38 116.64 1k93 h ARG 630 Ca -0.45 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.44 1k93 h ARG 630 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 1k93 h ARG 630 CO 0.59 0.09 -0.73 0.77 -1.07 0.00 0.00 179.97 179.62 1k93 h SER 631 N 0.00 0.06 -2.88 7.04 0.02 -1.89 -3.46 113.55 112.45 1k93 h SER 631 Ca -0.00 -0.04 -0.56 0.00 -0.84 0.00 0.00 61.79 60.34 1k93 h SER 631 Cb 0.53 -0.02 0.20 0.00 0.14 0.00 0.00 62.40 63.24 1k93 h SER 631 CO 0.01 0.77 -0.75 -1.22 -1.14 0.00 0.00 176.83 174.50 1k93 n TYR 632 N -3.70 -1.85 -1.56 3.45 0.53 -1.02 -1.35 117.16 111.66 1k93 n TYR 632 Ca -0.01 0.29 -0.19 0.00 -1.02 0.00 0.00 57.90 56.97 1k93 n TYR 632 Cb 0.71 -1.79 -0.08 0.00 -1.03 0.00 0.00 39.34 37.14 1k93 n TYR 632 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1k93 n ASN 633 N 0.56 -5.46 -3.35 7.72 5.03 0.86 -4.93 115.26 115.69 1k93 n ASN 633 Ca 0.07 0.47 -0.16 0.00 0.87 0.00 0.00 54.58 55.83 1k93 n ASN 633 Cb 0.51 -4.70 -0.06 0.00 -1.02 0.00 0.00 39.78 34.50 1k93 n ASN 633 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1k93 s LYS 634 N -3.62 1.81 -0.59 3.52 1.02 -0.46 -5.07 119.74 116.35 1k93 s LYS 634 Ca 0.00 -1.86 -0.17 0.00 0.02 0.00 0.00 55.97 53.97 1k93 s LYS 634 Cb 0.00 0.39 0.13 0.00 -0.52 0.00 0.00 37.83 37.83 1k93 s LYS 634 CO 0.00 -0.71 0.61 0.42 -0.92 0.00 0.00 175.35 174.75 1k93 s ILE 635 N -3.28 5.10 0.30 2.17 1.01 -1.26 -4.27 121.20 120.98 1k93 s ILE 635 Ca 0.35 -1.42 -0.26 0.00 0.00 0.00 0.00 60.65 59.32 1k93 s ILE 635 Cb 0.01 -4.41 -0.15 0.00 0.01 0.00 0.00 42.46 37.92 1k93 s ILE 635 CO 0.23 -0.99 0.68 0.00 0.00 0.00 0.00 174.94 174.86 1k93 n ALA 636 N 5.53 -1.56 0.01 9.38 0.00 0.32 -4.82 120.51 129.37 1k93 n ALA 636 Ca -0.09 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.53 1k93 n ALA 636 Cb 0.42 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 1k93 n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1k93 h PRO 637 N 1.27 0.64 0.35 0.00 0.11 -1.77 -1.85 132.00 130.75 1k93 h PRO 637 Ca -0.36 -0.54 -0.02 0.00 0.11 0.00 0.00 66.00 65.19 1k93 h PRO 637 Cb 1.39 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.62 1k93 h PRO 637 CO 0.56 1.16 -0.17 0.78 -0.21 0.00 0.00 178.00 180.12 1k93 h GLY 638 N 0.83 -0.49 -2.56 -0.55 0.00 -1.45 -3.35 103.07 95.50 1k93 h GLY 638 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1k93 h GLY 638 CO 0.15 -0.18 0.00 1.16 0.00 0.00 0.00 176.54 177.67 1k93 n ASN 639 N -3.57 3.96 -0.81 0.19 2.04 -1.00 -4.95 115.26 111.12 1k93 n ASN 639 Ca -0.06 -2.08 -0.09 0.00 -0.44 0.00 0.00 54.58 51.91 1k93 n ASN 639 Cb 0.18 -0.47 -0.04 0.00 -2.53 0.00 0.00 39.78 36.93 1k93 n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1k93 n LYS 640 N 1.39 -1.63 -1.76 -3.83 4.76 -0.69 -4.91 118.16 111.49 1k93 n LYS 640 Ca 0.23 0.67 -0.38 0.00 -2.87 0.00 0.00 58.31 55.96 1k93 n LYS 640 Cb 0.64 -4.82 0.05 0.00 -1.84 0.00 0.00 35.03 29.06 1k93 n LYS 640 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k93 s ALA 641 N -1.61 2.77 -0.56 7.82 0.00 -1.25 -4.51 121.76 124.42 1k93 s ALA 641 Ca 0.00 1.34 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1k93 s ALA 641 Cb 0.00 -3.58 0.17 0.00 0.00 0.00 0.00 23.12 19.71 1k93 s ALA 641 CO 0.00 -1.43 0.42 -0.47 0.00 0.00 0.00 175.76 174.28 1k93 s TYR 642 N -1.30 2.38 -0.11 0.00 5.04 -1.26 -0.52 117.35 121.57 1k93 s TYR 642 Ca 0.73 -2.85 -0.23 0.00 -2.44 0.00 0.00 57.07 52.28 1k93 s TYR 642 Cb -0.41 -1.84 -0.03 0.00 0.35 0.00 0.00 41.96 40.03 1k93 s TYR 642 CO 0.48 -0.68 0.68 0.42 -1.34 0.00 0.00 175.55 175.10 1k93 s ILE 643 N -0.73 5.04 0.16 3.14 1.01 -1.26 -4.93 121.20 123.63 1k93 s ILE 643 Ca 0.29 1.36 -0.04 0.00 0.00 0.00 0.00 60.65 62.26 1k93 s ILE 643 Cb -0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 1k93 s ILE 643 CO -0.18 0.20 0.39 -1.61 0.00 0.00 0.00 174.94 173.74 1k93 s GLU 644 N 1.16 3.61 0.03 2.79 2.02 -1.26 -0.10 118.70 126.95 1k93 s GLU 644 Ca 0.35 -0.12 -0.16 0.00 0.02 0.00 0.00 54.97 55.06 1k93 s GLU 644 Cb -0.17 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 31.25 1k93 s GLU 644 CO 0.15 0.44 0.35 -0.46 0.02 0.00 0.00 175.26 175.77 1k93 s TRP 645 N -1.71 -0.20 -0.33 1.61 -0.11 -1.26 -4.86 118.94 112.08 1k93 s TRP 645 Ca 0.41 0.17 -0.27 0.00 1.22 0.00 0.00 56.10 57.62 1k93 s TRP 645 Cb -0.12 0.15 0.01 0.00 -1.50 0.00 0.00 33.47 32.01 1k93 s TRP 645 CO 0.26 -0.50 1.00 0.99 -4.62 0.00 0.00 176.95 174.07 1k93 s THR 646 N -2.19 4.56 -0.33 5.86 2.01 -1.26 -4.84 115.64 119.45 1k93 s THR 646 Ca -0.07 1.51 -0.06 0.00 0.31 0.00 0.00 61.69 63.38 1k93 s THR 646 Cb -0.02 -4.36 0.04 0.00 0.01 0.00 0.00 72.50 68.16 1k93 s THR 646 CO -0.01 -0.48 0.09 -0.62 -0.69 0.00 0.00 174.62 172.91 1k93 s ASP 647 N 1.73 5.22 0.42 3.53 3.68 -1.26 -5.00 116.67 124.99 1k93 s ASP 647 Ca 0.42 -1.09 0.08 0.00 2.13 0.00 0.00 52.55 54.09 1k93 s ASP 647 Cb -0.12 -1.85 0.90 0.00 -1.45 0.00 0.00 42.92 40.40 1k93 s ASP 647 CO 0.16 -0.30 2.06 1.55 0.13 0.00 0.00 175.17 178.78 1k93 h PRO 648 N 8.19 0.47 -0.40 4.34 0.13 -2.01 -2.57 132.00 140.15 1k93 h PRO 648 Ca -0.24 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.93 1k93 h PRO 648 Cb 1.09 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1k93 h PRO 648 CO 0.59 0.32 0.27 0.82 -0.23 0.00 0.00 178.00 179.78 1k93 h ILE 649 N 0.48 0.91 0.06 -3.56 2.04 -2.01 -2.70 117.51 112.74 1k93 h ILE 649 Ca 0.13 -0.08 -0.28 0.00 1.00 0.00 0.00 64.86 65.63 1k93 h ILE 649 Cb -0.04 0.67 0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1k93 h ILE 649 CO -0.03 0.04 -1.14 0.74 0.00 0.00 0.00 178.15 177.76 1k93 h THR 650 N 0.22 1.30 -0.35 -0.27 2.02 -1.90 -2.33 112.91 111.60 1k93 h THR 650 Ca 0.18 -2.39 0.09 0.00 0.77 0.00 0.00 66.41 65.06 1k93 h THR 650 Cb 0.44 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1k93 h THR 650 CO -0.03 0.73 0.25 0.11 0.37 0.00 0.00 175.52 176.95 1k93 h LYS 651 N 0.32 0.04 0.09 6.66 1.57 -1.47 -1.10 116.57 122.69 1k93 h LYS 651 Ca -0.16 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.35 1k93 h LYS 651 Cb 1.81 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.10 1k93 h LYS 651 CO 0.22 0.03 -1.27 0.00 -0.57 0.00 0.00 179.45 177.86 1k93 h ALA 652 N 1.83 0.22 -0.80 3.86 0.00 -1.48 -3.36 119.26 119.53 1k93 h ALA 652 Ca 0.16 -0.96 0.24 0.00 0.00 0.00 0.00 54.91 54.35 1k93 h ALA 652 Cb 0.60 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 1k93 h ALA 652 CO -0.01 1.09 0.08 1.17 0.00 0.00 0.00 179.25 181.59 1k93 n LYS 653 N -3.45 -0.06 -0.02 0.00 4.81 -0.41 0.28 118.16 119.30 1k93 n LYS 653 Ca -0.09 1.18 0.18 0.00 -0.87 0.00 0.00 58.31 58.71 1k93 n LYS 653 Cb 1.01 -1.91 0.64 0.00 0.02 0.00 0.00 35.03 34.80 1k93 n LYS 653 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1k93 h ILE 654 N 0.00 0.77 -0.01 3.15 6.09 -1.71 -2.10 117.51 123.70 1k93 h ILE 654 Ca 0.51 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.97 1k93 h ILE 654 Cb 1.12 0.66 0.00 0.00 0.47 0.00 0.00 36.82 39.08 1k93 h ILE 654 CO -0.73 0.02 -0.28 0.59 -3.07 0.00 0.00 178.15 174.68 1k93 n ASN 655 N -4.41 1.78 -4.46 2.19 3.02 0.14 -4.51 115.26 109.01 1k93 n ASN 655 Ca 0.10 -1.39 -0.34 0.00 -0.03 0.00 0.00 54.58 52.92 1k93 n ASN 655 Cb 0.55 0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 39.98 1k93 n ASN 655 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1k93 s THR 656 N -1.82 3.70 0.72 3.41 -4.23 -0.79 -3.54 115.64 113.09 1k93 s THR 656 Ca 0.15 -0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 1k93 s THR 656 Cb 0.13 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1k93 s THR 656 CO 0.37 0.49 1.10 0.27 -0.54 0.00 0.00 174.62 176.31 1k93 s ILE 657 N 0.43 3.35 0.56 2.99 -4.36 -1.26 -4.82 121.20 118.09 1k93 s ILE 657 Ca -0.05 0.51 -0.15 0.00 -0.26 0.00 0.00 60.65 60.70 1k93 s ILE 657 Cb -0.15 -3.02 -0.06 0.00 1.25 0.00 0.00 42.46 40.49 1k93 s ILE 657 CO 0.03 -0.50 1.01 -2.16 0.24 0.00 0.00 174.94 173.56 1k93 s PRO 658 N -4.60 3.71 0.82 0.37 0.04 -1.26 -5.08 135.00 129.00 1k93 s PRO 658 Ca 0.63 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1k93 s PRO 658 Cb -0.18 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.35 1k93 s PRO 658 CO 0.50 -0.47 1.16 -0.08 0.04 0.00 0.00 177.00 178.14 1k93 s THR 659 N -2.73 2.21 0.12 1.26 -1.32 -1.26 -4.90 115.64 109.03 1k93 s THR 659 Ca 0.59 0.07 -0.15 0.00 -1.21 0.00 0.00 61.69 60.99 1k93 s THR 659 Cb -0.11 -2.99 -0.03 0.00 -1.51 0.00 0.00 72.50 67.86 1k93 s THR 659 CO 0.38 -0.09 1.54 0.77 -2.21 0.00 0.00 174.62 175.01 1k93 h SER 660 N -1.13 0.71 0.40 8.08 4.64 -1.85 -2.47 113.55 121.93 1k93 h SER 660 Ca -0.47 -0.34 -0.01 0.00 -0.47 0.00 0.00 61.79 60.50 1k93 h SER 660 Cb 1.32 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1k93 h SER 660 CO 0.64 0.89 -0.31 0.00 -0.87 0.00 0.00 176.83 177.18 1k93 h ALA 661 N 0.85 -0.72 -0.96 5.18 0.00 -1.93 -0.91 119.26 120.77 1k93 h ALA 661 Ca 0.10 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 55.17 1k93 h ALA 661 Cb 0.55 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 1k93 h ALA 661 CO 0.03 -0.93 0.47 1.49 0.00 0.00 0.00 179.25 180.31 1k93 h GLU 662 N -0.71 0.33 0.04 0.00 4.57 -1.93 1.04 114.58 117.92 1k93 h GLU 662 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1k93 h GLU 662 Cb 0.61 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1k93 h GLU 662 CO -0.01 0.22 -0.05 0.35 -1.18 0.00 0.00 179.01 178.34 1k93 h PHE 663 N 0.34 -0.12 0.48 0.92 3.57 -0.78 0.02 116.94 121.36 1k93 h PHE 663 Ca 0.66 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.14 1k93 h PHE 663 Cb 1.41 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1k93 h PHE 663 CO -0.09 -0.07 -0.23 0.82 -2.23 0.00 0.00 178.31 176.51 1k93 h ILE 664 N -0.10 0.35 -0.55 1.41 2.04 0.11 -2.77 117.51 118.00 1k93 h ILE 664 Ca 0.01 -0.49 0.16 0.00 1.00 0.00 0.00 64.86 65.54 1k93 h ILE 664 Cb 0.10 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1k93 h ILE 664 CO -0.02 0.06 0.66 0.11 0.00 0.00 0.00 178.15 178.96 1k93 h LYS 665 N -1.00 0.00 -0.01 2.37 1.57 0.85 1.67 116.57 122.03 1k93 h LYS 665 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1k93 h LYS 665 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1k93 h LYS 665 CO 0.11 0.00 -0.00 0.09 -0.57 0.00 0.00 179.45 179.07 1k93 n ASN 666 N -3.50 1.42 -0.00 0.86 4.13 -0.01 -2.53 115.26 115.63 1k93 n ASN 666 Ca 0.11 -1.46 0.08 0.00 1.68 0.00 0.00 54.58 54.98 1k93 n ASN 666 Cb 0.87 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 39.00 1k93 n ASN 666 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1k93 n LEU 667 N 0.10 0.36 -0.02 3.41 4.77 0.56 -3.39 117.00 122.78 1k93 n LEU 667 Ca 0.19 -0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 1k93 n LEU 667 Cb 0.34 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1k93 n LEU 667 CO 0.17 0.09 0.02 -1.28 -1.33 0.00 0.00 177.39 175.06 1k93 h SER 668 N 0.00 -0.04 0.37 -1.43 0.87 -1.07 -2.75 113.55 109.51 1k93 h SER 668 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1k93 h SER 668 Cb 0.56 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1k93 h SER 668 CO 0.00 0.36 -0.34 0.77 -0.53 0.00 0.00 176.83 177.09 1k93 h SER 669 N -0.81 0.00 0.35 6.23 4.64 -1.72 -0.65 113.55 121.59 1k93 h SER 669 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1k93 h SER 669 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1k93 h SER 669 CO 0.01 0.34 -0.33 -0.29 -0.87 0.00 0.00 176.83 175.69 1k93 h ILE 670 N 0.00 1.20 -0.03 0.95 -0.00 -1.68 -3.18 117.51 114.77 1k93 h ILE 670 Ca -0.00 -1.13 -0.41 0.00 -0.00 0.00 0.00 64.86 63.32 1k93 h ILE 670 Cb 0.62 1.62 -0.03 0.00 -0.00 0.00 0.00 36.82 39.03 1k93 h ILE 670 CO 0.04 0.32 1.51 -1.14 -0.00 0.00 0.00 178.15 178.88 1k93 n ARG 671 N -4.10 2.78 0.02 2.19 0.63 -0.25 -3.70 116.66 114.23 1k93 n ARG 671 Ca -0.02 -1.57 -0.01 0.00 -0.92 0.00 0.00 57.85 55.34 1k93 n ARG 671 Cb 0.37 -2.36 -0.00 0.00 0.45 0.00 0.00 32.46 30.92 1k93 n ARG 671 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1k93 n ARG 672 N 2.94 0.03 -1.02 -0.14 5.12 -1.20 -4.72 116.66 117.67 1k93 n ARG 672 Ca 0.59 0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 56.13 1k93 n ARG 672 Cb 0.61 -0.41 -0.05 0.00 -1.16 0.00 0.00 32.46 31.45 1k93 n ARG 672 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1k93 n SER 673 N -3.23 2.76 0.00 0.55 7.64 -1.24 -5.20 113.62 114.90 1k93 n SER 673 Ca -0.01 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1k93 n SER 673 Cb 0.03 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1k93 n SER 673 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1k93 n SER 674 N 6.98 0.00 -3.07 6.43 2.88 -1.26 -5.10 113.62 120.48 1k93 n SER 674 Ca 0.48 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.82 1k93 n SER 674 Cb 0.35 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.78 1k93 n SER 674 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1k93 n SER 693 N 0.00 -0.75 -4.55 -3.46 2.88 -1.26 -5.00 113.62 101.48 1k93 n SER 693 Ca 0.00 -2.86 -0.42 0.00 -1.33 0.00 0.00 58.87 54.27 1k93 n SER 693 Cb 0.00 0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.46 1k93 n SER 693 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1k93 s VAL 694 N -0.59 5.02 -1.82 2.46 1.01 -1.26 -4.86 120.40 120.36 1k93 s VAL 694 Ca 0.34 0.23 0.17 0.00 0.00 0.00 0.00 61.98 62.72 1k93 s VAL 694 Cb 0.18 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.64 1k93 s VAL 694 CO -0.15 -0.26 0.95 1.17 0.00 0.00 0.00 175.10 176.81 1k93 n LYS 695 N 5.74 1.54 -0.12 2.72 4.81 -1.26 -4.38 118.16 127.21 1k93 n LYS 695 Ca -0.05 -1.16 -0.06 0.00 -0.87 0.00 0.00 58.31 56.17 1k93 n LYS 695 Cb 0.49 -1.31 0.02 0.00 0.02 0.00 0.00 35.03 34.25 1k93 n LYS 695 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1k93 h LYS 696 N 2.57 0.37 -0.88 1.64 1.57 -1.99 -2.17 116.57 117.67 1k93 h LYS 696 Ca 0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1k93 h LYS 696 Cb 0.64 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1k93 h LYS 696 CO 0.00 0.24 0.58 0.82 -0.57 0.00 0.00 179.45 180.52 1k93 h ILE 697 N 0.38 1.23 0.00 1.86 2.04 -1.93 0.21 117.51 121.30 1k93 h ILE 697 Ca 0.17 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1k93 h ILE 697 Cb 0.10 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1k93 h ILE 697 CO -0.13 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.24 1k93 n ALA 698 N -2.35 1.89 -0.12 1.87 0.00 -0.93 -1.51 120.51 119.36 1k93 n ALA 698 Ca 0.10 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 1k93 n ALA 698 Cb 0.02 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.08 1k93 n ALA 698 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k93 n GLY 699 N 0.32 -0.59 0.25 0.00 0.00 -0.43 -3.80 105.19 100.94 1k93 n GLY 699 Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1k93 n GLY 699 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1k93 h TYR 700 N -1.00 0.04 0.00 1.61 0.99 -0.50 0.64 116.97 118.74 1k93 h TYR 700 Ca -0.49 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.28 1k93 h TYR 700 Cb 1.40 0.09 -0.00 0.00 1.00 0.00 0.00 36.73 39.21 1k93 h TYR 700 CO -0.09 -0.16 -0.07 -0.07 -0.00 0.00 0.00 178.16 177.77 1k93 h LEU 701 N 0.15 0.00 -0.27 3.88 3.38 -1.47 0.48 115.31 121.46 1k93 h LEU 701 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1k93 h LEU 701 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1k93 h LEU 701 CO -0.55 0.07 -0.15 -1.28 0.09 0.00 0.00 178.44 176.62 1k93 h SER 702 N 0.00 0.00 0.13 -0.43 0.87 0.02 -3.19 113.55 110.95 1k93 h SER 702 Ca -0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1k93 h SER 702 Cb 0.12 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1k93 h SER 702 CO 0.01 0.15 -0.75 0.44 -0.53 0.00 0.00 176.83 176.15 1k93 h ASP 703 N 0.00 0.45 -0.96 6.23 3.32 0.29 -3.31 116.42 122.43 1k93 h ASP 703 Ca -0.00 -0.95 0.14 0.00 0.02 0.00 0.00 57.03 56.24 1k93 h ASP 703 Cb 1.02 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.33 1k93 h ASP 703 CO 0.02 1.36 0.57 0.22 -1.72 0.00 0.00 179.24 179.69 1k93 h TYR 704 N -0.39 1.03 -2.17 4.55 3.20 -0.57 -2.16 116.97 120.46 1k93 h TYR 704 Ca -0.13 0.03 -0.78 0.00 3.14 0.00 0.00 58.73 61.00 1k93 h TYR 704 Cb 1.59 -0.31 -0.29 0.00 1.54 0.00 0.00 36.73 39.26 1k93 h TYR 704 CO 0.20 0.33 0.86 0.66 -1.64 0.00 0.00 178.16 178.57 1k93 n TYR 705 N -4.72 2.94 -3.29 -3.82 4.02 -1.20 -4.98 117.16 106.11 1k93 n TYR 705 Ca 0.19 -2.63 -0.40 0.00 -0.01 0.00 0.00 57.90 55.05 1k93 n TYR 705 Cb 0.42 -1.11 -0.08 0.00 -0.02 0.00 0.00 39.34 38.55 1k93 n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1k93 s ASN 706 N -1.51 6.32 0.57 7.72 2.47 -0.81 -4.96 114.94 124.74 1k93 s ASN 706 Ca 0.43 0.19 0.27 0.00 0.42 0.00 0.00 52.86 54.18 1k93 s ASN 706 Cb 0.26 -2.25 1.60 0.00 -1.45 0.00 0.00 41.25 39.42 1k93 s ASN 706 CO -0.20 -0.33 2.11 0.28 -3.72 0.00 0.00 177.10 175.23 1k93 h SER 707 N 8.26 0.00 0.00 -4.21 0.02 -1.91 -2.98 113.55 112.72 1k93 h SER 707 Ca -0.29 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.12 1k93 h SER 707 Cb 1.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.69 1k93 h SER 707 CO 0.71 0.00 2.87 0.00 -1.14 0.00 0.00 176.83 179.27 1k93 n ALA 708 N -2.39 6.89 0.00 3.77 0.00 -1.26 -2.84 120.51 124.68 1k93 n ALA 708 Ca 0.02 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1k93 n ALA 708 Cb 0.31 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.64 1k93 n ALA 708 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k93 n ASN 709 N 3.46 2.74 -0.22 0.00 4.13 -1.13 -4.75 115.26 119.49 1k93 n ASN 709 Ca 0.67 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.93 1k93 n ASN 709 Cb 0.34 0.55 0.00 0.00 -1.54 0.00 0.00 39.78 39.13 1k93 n ASN 709 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k93 n HIS 710 N -0.83 0.00 -0.01 3.10 1.44 -1.13 -1.14 115.22 116.65 1k93 n HIS 710 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 1k93 n HIS 710 Cb 0.00 -0.02 0.02 0.00 0.12 0.00 0.00 29.99 30.11 1k93 n HIS 710 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1k93 n ILE 711 N -0.14 0.89 -4.39 0.61 -5.35 -1.26 -5.02 119.36 104.69 1k93 n ILE 711 Ca 0.00 -0.95 -0.25 0.00 -0.27 0.00 0.00 62.75 61.29 1k93 n ILE 711 Cb 0.05 0.56 -0.09 0.00 -1.74 0.00 0.00 39.64 38.41 1k93 n ILE 711 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1k93 s PHE 712 N -0.90 2.51 0.71 4.28 0.40 -0.29 -5.13 117.98 119.55 1k93 s PHE 712 Ca 0.03 -0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 1k93 s PHE 712 Cb 0.01 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1k93 s PHE 712 CO 0.02 0.51 1.08 -1.54 0.70 0.00 0.00 175.22 175.99 1k93 s SER 713 N -3.69 5.41 0.13 1.36 1.04 -1.26 -4.80 113.70 111.89 1k93 s SER 713 Ca 0.34 1.28 -0.22 0.00 0.48 0.00 0.00 55.95 57.83 1k93 s SER 713 Cb 0.00 -2.12 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 1k93 s SER 713 CO 0.19 -1.38 1.67 1.56 0.98 0.00 0.00 173.24 176.26 1k93 h GLN 714 N -0.68 -0.14 -0.68 4.02 1.08 -1.99 0.12 115.11 116.84 1k93 h GLN 714 Ca -0.45 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 56.90 1k93 h GLN 714 Cb 1.24 0.03 -0.13 0.00 -0.05 0.00 0.00 27.48 28.57 1k93 h GLN 714 CO 0.62 -0.09 -0.15 0.93 -0.95 0.00 0.00 178.83 179.18 1k93 h GLU 715 N -0.15 0.01 0.10 1.46 3.07 -2.00 0.10 114.58 117.18 1k93 h GLU 715 Ca 0.10 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1k93 h GLU 715 Cb 0.30 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1k93 h GLU 715 CO -0.25 0.01 -0.12 -0.22 -1.40 0.00 0.00 179.01 177.03 1k93 h LYS 716 N 0.01 -0.24 -0.21 2.33 1.63 -1.58 -1.79 116.57 116.71 1k93 h LYS 716 Ca 0.33 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.20 1k93 h LYS 716 Cb 0.52 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.13 1k93 h LYS 716 CO -0.69 -0.16 -0.41 0.87 -3.45 0.00 0.00 179.45 175.61 1k93 h LYS 717 N -0.25 -0.41 -0.70 1.90 1.57 0.15 -1.36 116.57 117.47 1k93 h LYS 717 Ca 0.01 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1k93 h LYS 717 Cb 0.25 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1k93 h LYS 717 CO -0.04 -0.28 0.39 0.00 -0.57 0.00 0.00 179.45 178.95 1k93 h ARG 718 N -0.43 0.68 0.00 3.15 3.08 -0.85 -1.84 114.38 118.18 1k93 h ARG 718 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1k93 h ARG 718 Cb 0.60 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1k93 h ARG 718 CO -0.45 0.45 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 1k93 n LYS 719 N -4.78 0.00 0.01 0.04 4.76 -0.64 -0.85 118.16 116.70 1k93 n LYS 719 Ca 0.10 0.59 0.22 0.00 -2.87 0.00 0.00 58.31 56.34 1k93 n LYS 719 Cb 0.20 -1.45 0.73 0.00 -1.84 0.00 0.00 35.03 32.66 1k93 n LYS 719 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1k93 h ILE 720 N 0.00 0.54 0.13 -0.18 3.07 -1.26 -1.56 117.51 118.25 1k93 h ILE 720 Ca 0.00 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.21 1k93 h ILE 720 Cb 0.00 0.67 0.02 0.00 -0.27 0.00 0.00 36.82 37.24 1k93 h ILE 720 CO 0.00 0.00 -0.85 0.28 -1.05 0.00 0.00 178.15 176.53 1k93 h SER 721 N 0.00 0.53 0.00 2.16 0.02 -1.18 0.38 113.55 115.47 1k93 h SER 721 Ca 0.25 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1k93 h SER 721 Cb 1.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1k93 h SER 721 CO -0.00 1.40 0.06 0.40 -1.14 0.00 0.00 176.83 177.55 1k93 h ILE 722 N -0.26 0.00 0.00 3.27 2.04 -0.01 0.67 117.51 123.22 1k93 h ILE 722 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1k93 h ILE 722 Cb 1.64 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1k93 h ILE 722 CO 0.16 0.00 -0.38 0.15 0.00 0.00 0.00 178.15 178.08 1k93 h PHE 723 N 0.00 0.00 -1.25 1.37 3.57 -1.27 -3.16 116.94 116.19 1k93 h PHE 723 Ca 0.00 0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.86 1k93 h PHE 723 Cb 0.12 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1k93 h PHE 723 CO 0.00 0.00 0.93 0.00 -2.23 0.00 0.00 178.31 177.01 1k93 h ARG 724 N -0.95 0.00 0.18 1.11 3.08 -0.46 0.23 114.38 117.56 1k93 h ARG 724 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1k93 h ARG 724 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1k93 h ARG 724 CO 0.00 0.00 -0.08 0.78 -1.07 0.00 0.00 179.97 179.60 1k93 h GLY 725 N 0.00 -0.25 -0.73 0.04 0.00 -1.02 -2.72 103.07 98.39 1k93 h GLY 725 Ca 0.59 0.09 0.39 0.00 0.00 0.00 0.00 47.33 48.40 1k93 h GLY 725 CO -0.01 -0.09 0.94 -2.22 0.00 0.00 0.00 176.54 175.17 1k93 h ILE 726 N -0.49 0.32 0.70 2.60 2.04 -1.15 0.30 117.51 121.82 1k93 h ILE 726 Ca -0.02 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1k93 h ILE 726 Cb 0.18 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1k93 h ILE 726 CO 0.04 0.01 -0.47 1.56 0.00 0.00 0.00 178.15 179.29 1k93 h GLN 727 N 0.06 -1.07 -0.08 2.37 4.20 -0.52 -0.27 115.11 119.80 1k93 h GLN 727 Ca 0.67 0.07 -0.07 0.00 0.06 0.00 0.00 58.65 59.38 1k93 h GLN 727 Cb 2.50 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 30.51 1k93 h GLN 727 CO -0.08 -0.71 -0.25 0.00 -0.67 0.00 0.00 178.83 177.11 1k93 h ALA 728 N -0.97 1.43 0.00 3.87 0.00 -0.25 -1.15 119.26 122.19 1k93 h ALA 728 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1k93 h ALA 728 Cb 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1k93 h ALA 728 CO 0.06 0.41 0.00 -0.92 0.00 0.00 0.00 179.25 178.80 1k93 h TYR 729 N 0.13 0.00 0.00 0.00 3.20 -0.26 -1.15 116.97 118.89 1k93 h TYR 729 Ca 0.02 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1k93 h TYR 729 Cb 0.52 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1k93 h TYR 729 CO 0.00 0.00 -0.41 -0.97 -1.64 0.00 0.00 178.16 175.14 1k93 h ASN 730 N 0.00 0.00 -0.23 -2.11 -1.24 0.21 -3.01 115.58 109.20 1k93 h ASN 730 Ca 0.00 -0.67 0.04 0.00 0.71 0.00 0.00 56.30 56.38 1k93 h ASN 730 Cb 0.25 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.26 1k93 h ASN 730 CO 0.00 1.08 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.87 1k93 h GLU 731 N -1.00 0.05 -0.93 6.67 4.39 -1.18 -0.10 114.58 122.49 1k93 h GLU 731 Ca -0.11 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.69 1k93 h GLU 731 Cb 0.95 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.52 1k93 h GLU 731 CO -0.06 0.03 0.60 0.82 -1.16 0.00 0.00 179.01 179.23 1k93 h ILE 732 N 0.05 0.98 0.32 3.13 2.04 -1.38 -2.20 117.51 120.45 1k93 h ILE 732 Ca 0.11 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1k93 h ILE 732 Cb 0.14 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1k93 h ILE 732 CO -0.20 0.17 -0.34 -0.33 0.00 0.00 0.00 178.15 177.46 1k93 h GLU 733 N 0.95 -0.67 0.00 2.37 4.39 -0.90 -2.32 114.58 118.41 1k93 h GLU 733 Ca 0.43 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1k93 h GLU 733 Cb 0.37 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1k93 h GLU 733 CO -0.19 -0.45 0.00 0.27 -1.16 0.00 0.00 179.01 177.49 1k93 n ASN 734 N -5.45 0.00 0.08 1.42 0.23 -0.76 -1.96 115.26 108.82 1k93 n ASN 734 Ca -0.09 0.21 -0.22 0.00 -0.53 0.00 0.00 54.58 53.95 1k93 n ASN 734 Cb 0.35 -0.38 -0.14 0.00 -2.08 0.00 0.00 39.78 37.53 1k93 n ASN 734 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1k93 h VAL 735 N 0.00 1.38 0.00 3.53 2.07 -1.00 -2.81 116.25 119.41 1k93 h VAL 735 Ca 0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1k93 h VAL 735 Cb 0.28 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1k93 h VAL 735 CO 0.00 0.74 0.00 0.18 0.02 0.00 0.00 177.57 178.51 1k93 n LEU 736 N -3.94 0.63 -0.09 2.57 4.77 -0.91 -1.34 117.00 118.69 1k93 n LEU 736 Ca -0.14 0.64 0.14 0.00 -0.03 0.00 0.00 56.01 56.62 1k93 n LEU 736 Cb 0.93 -0.54 0.58 0.00 -2.33 0.00 0.00 43.42 42.05 1k93 n LEU 736 CO 0.54 -0.49 0.84 1.17 -1.33 0.00 0.00 177.39 178.12 1k93 n LYS 737 N -2.18 0.53 0.00 3.23 3.00 -0.83 -4.75 118.16 117.16 1k93 n LYS 737 Ca 0.03 -0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1k93 n LYS 737 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.78 1k93 n LYS 737 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1k93 n SER 738 N -1.08 0.00 -4.85 3.14 7.64 -0.45 -5.04 113.62 112.98 1k93 n SER 738 Ca 0.13 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.65 1k93 n SER 738 Cb 0.29 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 1k93 n SER 738 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k93 s LYS 739 N 2.03 3.91 0.00 1.43 2.47 -1.26 -4.94 119.74 123.39 1k93 s LYS 739 Ca 0.00 0.39 -0.03 0.00 -1.56 0.00 0.00 55.97 54.77 1k93 s LYS 739 Cb 0.00 -2.98 -0.12 0.00 -1.46 0.00 0.00 37.83 33.27 1k93 s LYS 739 CO 0.00 0.52 2.28 1.04 0.16 0.00 0.00 175.35 179.35 1k93 n GLN 740 N 0.91 1.18 0.00 4.03 3.00 -1.26 -4.77 117.38 120.47 1k93 n GLN 740 Ca -0.07 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 1k93 n GLN 740 Cb 0.52 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 29.17 1k93 n GLN 740 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1k93 n ILE 741 N 2.26 0.00 -3.50 5.09 2.08 -1.26 -2.90 119.36 121.13 1k93 n ILE 741 Ca 0.19 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 63.09 1k93 n ILE 741 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.34 1k93 n ILE 741 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1k93 s ALA 742 N -0.16 3.50 0.31 -1.39 0.00 -1.26 -4.98 121.76 117.78 1k93 s ALA 742 Ca 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 50.50 1k93 s ALA 742 Cb 0.00 -2.76 0.85 0.00 0.00 0.00 0.00 23.12 21.21 1k93 s ALA 742 CO 0.00 -1.17 1.52 -2.30 0.00 0.00 0.00 175.76 173.81 1k93 n PRO 743 N 5.13 -0.07 0.00 0.00 -0.02 -1.14 -0.39 135.00 138.50 1k93 n PRO 743 Ca -0.12 1.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.91 1k93 n PRO 743 Cb 0.49 -2.32 0.24 0.00 -0.02 0.00 0.00 33.50 31.89 1k93 n PRO 743 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1k93 n GLU 744 N -5.39 1.88 0.12 -0.52 1.02 -1.26 -3.46 120.64 113.03 1k93 n GLU 744 Ca 0.25 -1.41 -0.01 0.00 -0.02 0.00 0.00 57.16 55.97 1k93 n GLU 744 Cb 0.84 -1.47 0.10 0.00 -0.02 0.00 0.00 31.44 30.89 1k93 n GLU 744 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1k93 h TYR 745 N 3.44 0.00 -0.33 -0.32 -1.99 -1.10 -2.83 116.97 113.85 1k93 h TYR 745 Ca 0.00 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1k93 h TYR 745 Cb 0.78 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.49 1k93 h TYR 745 CO 0.00 0.67 0.22 -0.22 -0.00 0.00 0.00 178.16 178.83 1k93 h LYS 746 N 0.00 0.30 -0.11 4.88 3.11 -1.50 -2.26 116.57 120.99 1k93 h LYS 746 Ca -0.01 -0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.70 1k93 h LYS 746 Cb 1.29 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.46 1k93 h LYS 746 CO 0.09 0.20 -0.39 -0.91 -2.81 0.00 0.00 179.45 175.63 1k93 h ASN 747 N 0.31 0.54 -0.97 4.20 4.21 -1.67 -2.42 115.58 119.78 1k93 h ASN 747 Ca 0.14 -0.61 0.23 0.00 1.21 0.00 0.00 56.30 57.26 1k93 h ASN 747 Cb 0.16 -0.16 -0.08 0.00 -1.12 0.00 0.00 38.32 37.12 1k93 h ASN 747 CO -0.03 1.06 0.63 0.22 -1.29 0.00 0.00 177.43 178.02 1k93 h TYR 748 N 0.05 0.62 0.14 1.19 3.20 -1.44 0.12 116.97 120.84 1k93 h TYR 748 Ca -0.02 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 1k93 h TYR 748 Cb 1.02 -0.19 0.02 0.00 1.54 0.00 0.00 36.73 39.12 1k93 h TYR 748 CO 0.11 0.12 -1.00 0.74 -1.64 0.00 0.00 178.16 176.49 1k93 h PHE 749 N 0.43 0.53 -0.11 -3.82 0.05 -1.51 0.14 116.94 112.66 1k93 h PHE 749 Ca 0.53 -0.39 0.03 0.00 3.82 0.00 0.00 57.97 61.96 1k93 h PHE 749 Cb 1.29 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 39.21 1k93 h PHE 749 CO -0.00 1.39 0.17 -0.56 -0.18 0.00 0.00 178.31 179.13 1k93 h GLN 750 N -0.34 0.00 0.00 1.51 3.07 -0.82 0.38 115.11 118.91 1k93 h GLN 750 Ca -0.19 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.55 1k93 h GLN 750 Cb 1.69 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.25 1k93 h GLN 750 CO 0.13 0.00 -0.01 -0.92 0.09 0.00 0.00 178.83 178.12 1k93 h TYR 751 N 0.00 0.00 -0.23 0.06 3.20 -0.73 -2.90 116.97 116.37 1k93 h TYR 751 Ca 0.05 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1k93 h TYR 751 Cb 0.39 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 1k93 h TYR 751 CO 0.00 0.41 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.63 1k93 h LEU 752 N -1.00 -0.76 -1.31 2.82 3.38 0.10 0.37 115.31 118.91 1k93 h LEU 752 Ca -0.00 0.14 0.31 0.00 0.09 0.00 0.00 57.88 58.41 1k93 h LEU 752 Cb 0.42 0.36 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 1k93 h LEU 752 CO -0.00 -0.28 0.69 0.11 0.09 0.00 0.00 178.44 179.06 1k93 h LYS 753 N -0.25 0.32 -0.30 1.13 1.57 -0.40 0.79 116.57 119.43 1k93 h LYS 753 Ca 0.13 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1k93 h LYS 753 Cb 0.45 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1k93 h LYS 753 CO -0.38 0.21 -0.19 1.49 -0.57 0.00 0.00 179.45 180.02 1k93 h GLU 754 N 0.33 0.66 0.25 3.15 4.81 -0.13 -0.69 114.58 122.96 1k93 h GLU 754 Ca 0.66 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1k93 h GLU 754 Cb 1.73 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.11 1k93 h GLU 754 CO -0.37 0.91 -0.12 0.00 -0.73 0.00 0.00 179.01 178.70 1k93 h ARG 755 N 0.41 -0.32 -0.85 1.92 3.08 0.21 -1.85 114.38 116.98 1k93 h ARG 755 Ca 0.06 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.31 1k93 h ARG 755 Cb 0.73 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.75 1k93 h ARG 755 CO 0.05 -0.06 0.38 0.82 -1.07 0.00 0.00 179.97 180.10 1k93 h ILE 756 N -0.57 0.60 0.26 2.04 1.08 0.25 -0.32 117.51 120.85 1k93 h ILE 756 Ca -0.03 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1k93 h ILE 756 Cb 0.42 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 1k93 h ILE 756 CO 0.06 0.09 -0.18 0.74 -0.69 0.00 0.00 178.15 178.17 1k93 h THR 757 N 0.48 0.62 -0.20 -0.27 2.02 -0.88 -1.59 112.91 113.10 1k93 h THR 757 Ca 0.49 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.68 1k93 h THR 757 Cb 0.82 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1k93 h THR 757 CO -0.45 0.00 0.11 0.78 0.37 0.00 0.00 175.52 176.33 1k93 h ASN 758 N -0.43 0.18 -0.21 4.18 2.35 -0.37 0.07 115.58 121.36 1k93 h ASN 758 Ca -0.02 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1k93 h ASN 758 Cb 0.37 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 1k93 h ASN 758 CO 0.01 0.14 -0.17 -0.61 -1.65 0.00 0.00 177.43 175.15 1k93 h GLN 759 N 0.24 -0.16 0.53 0.81 5.75 -1.01 0.12 115.11 121.37 1k93 h GLN 759 Ca 0.08 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1k93 h GLN 759 Cb -0.00 0.04 0.01 0.00 1.07 0.00 0.00 27.48 28.59 1k93 h GLN 759 CO -0.04 -0.11 -0.25 0.28 -2.65 0.00 0.00 178.83 176.06 1k93 h VAL 760 N -0.17 0.00 0.00 2.39 2.07 -1.08 -0.56 116.25 118.90 1k93 h VAL 760 Ca 0.12 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1k93 h VAL 760 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1k93 h VAL 760 CO -0.31 0.00 0.37 1.67 0.02 0.00 0.00 177.57 179.32 1k93 n GLN 761 N -3.99 0.07 -0.08 1.57 -0.06 -0.01 0.30 117.38 115.19 1k93 n GLN 761 Ca -0.09 0.54 -0.18 0.00 -2.00 0.00 0.00 57.00 55.27 1k93 n GLN 761 Cb 0.28 -2.11 -0.12 0.00 -4.06 0.00 0.00 30.24 24.23 1k93 n GLN 761 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1k93 h LEU 762 N 0.00 0.04 -1.72 1.69 5.85 0.01 -3.17 115.31 118.02 1k93 h LEU 762 Ca 0.00 -0.77 -0.02 0.00 0.84 0.00 0.00 57.88 57.92 1k93 h LEU 762 Cb 0.74 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1k93 h LEU 762 CO 0.00 1.27 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.22 1k93 h LEU 763 N -0.93 0.07 0.08 2.25 3.38 0.14 -1.72 115.31 118.58 1k93 h LEU 763 Ca -0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1k93 h LEU 763 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1k93 h LEU 763 CO -0.08 0.16 -0.04 -0.07 0.09 0.00 0.00 178.44 178.50 1k93 h LEU 764 N 0.07 -0.10 -2.39 1.67 3.38 -1.31 -3.01 115.31 113.63 1k93 h LEU 764 Ca 0.02 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1k93 h LEU 764 Cb 0.20 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1k93 h LEU 764 CO 0.01 0.37 -0.02 0.71 0.09 0.00 0.00 178.44 179.60 1k93 h THR 765 N -0.59 0.13 0.00 0.22 1.35 -1.46 0.37 112.91 112.93 1k93 h THR 765 Ca -0.01 -0.22 -0.05 0.00 -0.55 0.00 0.00 66.41 65.58 1k93 h THR 765 Cb 0.49 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1k93 h THR 765 CO 0.02 0.02 -0.26 -0.74 -0.25 0.00 0.00 175.52 174.31 1k93 h HIS 766 N 0.00 0.00 0.00 4.73 6.17 -1.18 -3.40 115.15 121.47 1k93 h HIS 766 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1k93 h HIS 766 Cb 0.19 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.12 1k93 h HIS 766 CO 0.00 0.26 -0.18 1.04 0.71 0.00 0.00 177.93 179.75 1k93 n GLN 767 N -3.94 0.10 0.00 5.26 6.02 0.11 -5.11 117.38 119.81 1k93 n GLN 767 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1k93 n GLN 767 Cb 0.33 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 31.08 1k93 n GLN 767 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1k93 n LYS 768 N -3.04 0.00 0.02 -1.09 4.81 -0.02 -5.12 118.16 113.72 1k93 n LYS 768 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1k93 n LYS 768 Cb 0.09 -0.14 0.00 0.00 0.02 0.00 0.00 35.03 35.01 1k93 n LYS 768 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1k93 n PHE 773 N -1.67 -0.19 -0.33 5.64 7.35 -1.26 -4.65 117.46 122.36 1k93 n PHE 773 Ca 0.00 0.03 0.28 0.00 -0.76 0.00 0.00 57.45 57.00 1k93 n PHE 773 Cb 0.00 0.16 0.52 0.00 0.35 0.00 0.00 39.48 40.51 1k93 n PHE 773 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1k93 h LYS 774 N 0.00 0.03 0.00 -4.13 1.79 -1.99 -1.31 116.57 110.96 1k93 h LYS 774 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1k93 h LYS 774 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1k93 h LYS 774 CO 0.00 0.02 0.00 1.28 -1.08 0.00 0.00 179.45 179.67 1k93 n LEU 775 N -5.29 0.00 0.17 2.94 4.77 -1.26 -1.43 117.00 116.91 1k93 n LEU 775 Ca 0.34 0.48 0.09 0.00 -0.03 0.00 0.00 56.01 56.89 1k93 n LEU 775 Cb 1.15 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 42.70 1k93 n LEU 775 CO 0.00 0.00 0.83 -0.07 -1.33 0.00 0.00 177.39 176.82 1k93 h LEU 776 N 0.00 0.00 -1.01 2.23 4.07 -1.73 -2.21 115.31 116.66 1k93 h LEU 776 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1k93 h LEU 776 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1k93 h LEU 776 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 1k93 n TYR 777 N -2.16 0.00 -0.05 1.13 9.36 -0.51 -3.56 117.16 121.36 1k93 n TYR 777 Ca -0.01 -0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.10 1k93 n TYR 777 Cb 0.23 -0.10 -0.04 0.00 -0.63 0.00 0.00 39.34 38.81 1k93 n TYR 777 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1k93 n LYS 778 N 0.02 0.22 -0.37 2.98 4.76 -0.83 -4.68 118.16 120.26 1k93 n LYS 778 Ca 0.00 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1k93 n LYS 778 Cb 0.25 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 1k93 n LYS 778 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k93 n GLN 779 N -3.46 0.78 -4.24 1.97 10.64 -1.23 -4.80 117.38 117.03 1k93 n GLN 779 Ca -0.20 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 54.81 1k93 n GLN 779 Cb 0.64 -1.11 -0.11 0.00 -0.86 0.00 0.00 30.24 28.81 1k93 n GLN 779 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1k93 s LEU 780 N 0.00 2.45 0.28 2.61 0.05 -1.26 -4.72 118.68 118.09 1k93 s LEU 780 Ca 0.00 -0.89 -0.03 0.00 0.05 0.00 0.00 54.13 53.27 1k93 s LEU 780 Cb 0.00 -0.45 -0.04 0.00 -2.05 0.00 0.00 46.19 43.65 1k93 s LEU 780 CO 0.00 -0.23 0.51 0.20 -0.55 0.00 0.00 176.35 176.28 1k93 s ASN 781 N -2.74 6.40 0.00 1.48 0.02 -1.26 -4.95 114.94 113.88 1k93 s ASN 781 Ca 0.12 0.58 0.00 0.00 -1.02 0.00 0.00 52.86 52.53 1k93 s ASN 781 Cb -0.02 -2.09 0.00 0.00 0.02 0.00 0.00 41.25 39.17 1k93 s ASN 781 CO 0.02 -0.18 0.13 0.49 0.02 0.00 0.00 177.10 177.58 1k93 n PHE 782 N -1.05 0.00 0.00 2.20 3.01 -1.26 -4.98 117.46 115.38 1k93 n PHE 782 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1k93 n PHE 782 Cb 0.54 0.08 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 1k93 n PHE 782 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1k93 n THR 783 N 0.00 0.00 -0.87 4.37 -2.24 -1.26 -4.99 114.28 109.28 1k93 n THR 783 Ca 0.00 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1k93 n THR 783 Cb 0.43 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1k93 n THR 783 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k93 n GLU 784 N -0.12 3.22 -2.38 -0.78 -0.58 -1.26 -5.11 120.64 113.63 1k93 n GLU 784 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1k93 n GLU 784 Cb 0.00 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 30.93 1k93 n GLU 784 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1k93 n ASN 785 N 0.00 0.31 0.00 1.62 0.23 -1.26 -5.00 115.26 111.16 1k93 n ASN 785 Ca 0.00 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 1k93 n ASN 785 Cb 0.00 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1k93 n ASN 785 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1k93 n GLU 786 N -0.65 0.00 -3.09 -3.83 -0.58 -1.26 -4.85 120.64 106.38 1k93 n GLU 786 Ca -0.04 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.45 1k93 n GLU 786 Cb 0.87 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.69 1k93 n GLU 786 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1k93 n THR 787 N -1.92 1.83 0.00 2.62 -1.04 -1.26 -4.66 114.28 109.85 1k93 n THR 787 Ca 0.00 -5.16 0.00 0.00 -2.04 0.00 0.00 64.05 56.85 1k93 n THR 787 Cb 0.00 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 1k93 n THR 787 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1k93 n ASP 788 N 0.15 2.27 -0.07 8.00 4.64 -1.26 -4.59 116.55 125.69 1k93 n ASP 788 Ca 0.29 0.00 -0.20 0.00 -1.38 0.00 0.00 54.79 53.50 1k93 n ASP 788 Cb 0.48 0.30 -0.12 0.00 -1.04 0.00 0.00 41.12 40.73 1k93 n ASP 788 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 1k93 h ASN 789 N 0.00 0.08 -0.14 1.67 -0.26 -1.94 -3.26 115.58 111.73 1k93 h ASN 789 Ca 0.00 -0.72 0.04 0.00 -0.56 0.00 0.00 56.30 55.06 1k93 h ASN 789 Cb 0.31 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1k93 h ASN 789 CO 0.00 1.38 0.38 0.15 -1.06 0.00 0.00 177.43 178.29 1k93 h PHE 790 N -0.85 0.00 0.16 1.19 3.57 -1.85 -1.81 116.94 117.33 1k93 h PHE 790 Ca -0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 1k93 h PHE 790 Cb 1.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1k93 h PHE 790 CO 0.15 0.00 -0.08 0.93 -2.23 0.00 0.00 178.31 177.09 1k93 h GLU 791 N 0.00 -0.20 -1.03 1.11 3.07 -1.81 -2.93 114.58 112.80 1k93 h GLU 791 Ca 0.07 0.01 0.26 0.00 -0.50 0.00 0.00 59.36 59.20 1k93 h GLU 791 Cb 0.83 0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.70 1k93 h GLU 791 CO -0.00 -0.13 0.66 0.28 -1.40 0.00 0.00 179.01 178.41 1k93 h VAL 792 N -0.72 0.55 0.12 3.13 2.07 -1.46 -2.24 116.25 117.69 1k93 h VAL 792 Ca -0.02 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1k93 h VAL 792 Cb 0.16 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1k93 h VAL 792 CO 0.04 0.08 -0.20 0.15 0.02 0.00 0.00 177.57 177.65 1k93 h PHE 793 N 0.41 -0.56 -0.66 1.57 3.57 -1.40 -2.67 116.94 117.21 1k93 h PHE 793 Ca 0.58 0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.29 1k93 h PHE 793 Cb 1.45 0.23 -0.12 0.00 2.79 0.00 0.00 35.95 40.29 1k93 h PHE 793 CO -0.00 -0.24 0.06 1.04 -2.23 0.00 0.00 178.31 176.94 1k93 n GLN 794 N -3.55 -0.05 -0.09 1.11 1.13 -0.84 0.10 117.38 115.19 1k93 n GLN 794 Ca -0.04 0.97 -0.15 0.00 -1.94 0.00 0.00 57.00 55.85 1k93 n GLN 794 Cb 0.17 -1.57 -0.04 0.00 0.11 0.00 0.00 30.24 28.91 1k93 n GLN 794 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1k93 h LYS 795 N 0.00 0.86 -0.81 -1.09 1.57 -1.57 -3.23 116.57 112.30 1k93 h LYS 795 Ca 0.42 -0.53 0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1k93 h LYS 795 Cb 0.91 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.19 1k93 h LYS 795 CO -0.60 1.16 0.42 0.82 -0.57 0.00 0.00 179.45 180.68 1k93 h ILE 796 N 0.65 0.78 -0.64 1.86 1.08 0.10 -1.38 117.51 119.97 1k93 h ILE 796 Ca 0.02 -0.22 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1k93 h ILE 796 Cb 1.09 0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 1k93 h ILE 796 CO 0.11 0.12 0.35 0.16 -0.69 0.00 0.00 178.15 178.20 1k93 h ILE 797 N 0.64 0.98 0.00 -0.67 -0.00 -1.53 -3.52 117.51 113.41 1k93 h ILE 797 Ca 0.42 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 65.05 1k93 h ILE 797 Cb 0.53 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 37.61 1k93 h ILE 797 CO -0.32 0.12 0.00 0.47 -0.00 0.00 0.00 178.15 178.42