#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg1 s ASP 278 N 0.00 -0.15 -1.09 1.61 2.15 -1.26 -4.91 116.67 113.02 2kg1 s ASP 278 Ca 0.00 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.28 2kg1 s ASP 278 Cb 0.00 0.56 0.00 0.00 -0.30 0.00 0.00 42.92 43.18 2kg1 s ASP 278 CO 0.00 -1.07 0.00 -1.20 -0.17 0.00 0.00 175.17 172.73 2kg1 n SER 279 N -0.33 -3.33 -3.74 -0.34 7.64 -1.26 -4.90 113.62 107.35 2kg1 n SER 279 Ca -0.07 0.25 -0.13 0.00 1.01 0.00 0.00 58.87 59.94 2kg1 n SER 279 Cb 0.62 -2.96 -0.08 0.00 -1.01 0.00 0.00 64.21 60.78 2kg1 n SER 279 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2kg1 s GLU 280 N -2.72 0.73 0.28 1.43 2.12 -1.26 -5.18 118.70 114.09 2kg1 s GLU 280 Ca 0.00 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.11 2kg1 s GLU 280 Cb 0.00 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 2kg1 s GLU 280 CO 0.00 -0.21 0.24 -0.06 -0.54 0.00 0.00 175.26 174.69 2kg1 s PHE 281 N -1.64 1.43 0.27 5.30 0.08 -1.26 -4.99 117.98 117.16 2kg1 s PHE 281 Ca -0.11 -1.49 -0.02 0.00 0.12 0.00 0.00 56.93 55.42 2kg1 s PHE 281 Cb -0.04 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.81 2kg1 s PHE 281 CO 0.03 -0.81 0.31 0.95 -0.10 0.00 0.00 175.22 175.60 2kg1 s THR 282 N -3.71 0.00 -0.02 0.64 -4.23 -1.26 -4.69 115.64 102.36 2kg1 s THR 282 Ca 0.39 -1.78 0.12 0.00 -1.18 0.00 0.00 61.69 59.24 2kg1 s THR 282 Cb 0.04 -2.47 0.22 0.00 1.34 0.00 0.00 72.50 71.63 2kg1 s THR 282 CO 0.20 0.00 1.09 0.52 -0.54 0.00 0.00 174.62 175.89 2kg1 n VAL 283 N -0.43 0.21 -1.97 2.29 0.31 -1.26 -4.49 118.33 113.00 2kg1 n VAL 283 Ca 0.02 -0.70 0.03 0.00 -0.01 0.00 0.00 64.34 63.68 2kg1 n VAL 283 Cb 0.63 0.63 0.04 0.00 -0.91 0.00 0.00 33.84 34.24 2kg1 n VAL 283 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kg1 n GLN 284 N 0.08 0.31 -1.34 5.55 6.02 -1.26 -4.82 117.38 121.92 2kg1 n GLN 284 Ca 0.04 -1.68 0.04 0.00 -0.01 0.00 0.00 57.00 55.40 2kg1 n GLN 284 Cb 0.88 -0.60 0.06 0.00 1.02 0.00 0.00 30.24 31.60 2kg1 n GLN 284 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kg1 n SER 285 N -0.16 1.17 -3.51 1.08 7.64 -1.26 -4.98 113.62 113.59 2kg1 n SER 285 Ca 0.05 -2.40 -0.26 0.00 1.01 0.00 0.00 58.87 57.28 2kg1 n SER 285 Cb 0.81 -0.35 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2kg1 n SER 285 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kg1 n THR 286 N 0.14 -1.96 -0.56 0.44 -1.04 -1.26 -4.84 114.28 105.19 2kg1 n THR 286 Ca 0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.04 2kg1 n THR 286 Cb 1.05 -2.99 -0.09 0.00 -1.82 0.00 0.00 70.33 66.48 2kg1 n THR 286 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2kg1 n THR 287 N -4.54 1.74 -2.80 12.58 -2.24 -1.26 -4.76 114.28 112.99 2kg1 n THR 287 Ca -0.01 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2kg1 n THR 287 Cb 0.56 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2kg1 n THR 287 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kg1 n GLY 288 N 2.54 1.90 3.18 3.38 0.00 -1.26 -4.82 105.19 110.11 2kg1 n GLY 288 Ca 0.22 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 2kg1 n GLY 288 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kg1 s HIS 289 N -4.71 1.39 0.23 1.61 3.76 -1.18 -4.87 115.29 111.52 2kg1 s HIS 289 Ca 0.00 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.51 2kg1 s HIS 289 Cb 0.00 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 2kg1 s HIS 289 CO 0.00 0.06 0.25 0.00 -0.85 0.00 0.00 174.74 174.20 2kg1 s VAL 291 N -4.00 0.01 0.57 0.00 1.01 -0.52 -1.80 120.40 115.67 2kg1 s VAL 291 Ca 0.34 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 2kg1 s VAL 291 Cb 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2kg1 s VAL 291 CO 0.13 -0.03 0.89 -1.00 0.00 0.00 0.00 175.10 175.09 2kg1 s HIS 292 N -0.02 3.38 -0.23 5.22 0.09 -0.00 -1.19 115.29 122.54 2kg1 s HIS 292 Ca -0.02 0.78 -0.06 0.00 -0.00 0.00 0.00 55.06 55.76 2kg1 s HIS 292 Cb -0.03 -2.63 0.11 0.00 -0.00 0.00 0.00 32.58 30.04 2kg1 s HIS 292 CO 0.01 -0.67 0.45 1.41 -0.00 0.00 0.00 174.74 175.94 2kg1 s MET 293 N -4.96 0.38 0.25 1.40 0.00 -1.01 -1.04 119.30 114.32 2kg1 s MET 293 Ca 0.52 0.96 -0.30 0.00 0.00 0.00 0.00 55.69 56.87 2kg1 s MET 293 Cb -0.11 0.22 -0.11 0.00 0.00 0.00 0.00 34.83 34.84 2kg1 s MET 293 CO 0.46 -0.37 1.55 -0.98 0.00 0.00 0.00 175.02 175.68 2kg1 s ARG 294 N 2.65 4.19 0.52 4.11 1.04 -0.15 -2.82 118.95 128.49 2kg1 s ARG 294 Ca 0.03 2.45 -0.20 0.00 -1.04 0.00 0.00 55.73 56.97 2kg1 s ARG 294 Cb -0.13 -3.08 -0.07 0.00 -2.04 0.00 0.00 34.95 29.63 2kg1 s ARG 294 CO -0.15 -0.57 1.10 0.20 -0.04 0.00 0.00 175.30 175.84 2kg1 s GLY 295 N 0.64 2.60 1.25 3.88 0.00 -1.26 -3.79 107.32 110.63 2kg1 s GLY 295 Ca 0.64 0.75 -0.15 0.00 0.00 0.00 0.00 44.72 45.96 2kg1 s GLY 295 CO 0.42 1.10 0.99 0.48 0.00 0.00 0.00 173.10 176.09 2kg1 s LEU 296 N -3.66 0.24 0.33 0.66 2.34 -1.26 -4.92 118.68 112.41 2kg1 s LEU 296 Ca 0.70 1.37 -0.26 0.00 0.06 0.00 0.00 54.13 56.01 2kg1 s LEU 296 Cb -0.21 -3.13 -0.14 0.00 -0.56 0.00 0.00 46.19 42.15 2kg1 s LEU 296 CO 0.25 -4.61 0.83 -2.65 -1.06 0.00 0.00 176.35 169.11 2kg1 n PRO 297 N -5.18 0.98 -0.21 1.48 -0.02 -1.26 -4.78 135.00 126.02 2kg1 n PRO 297 Ca 0.04 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2kg1 n PRO 297 Cb 0.55 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2kg1 n PRO 297 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2kg1 n TYR 298 N -0.18 0.00 -1.77 6.00 0.18 -1.26 -2.20 117.16 117.93 2kg1 n TYR 298 Ca 0.11 -0.52 0.00 0.00 1.88 0.00 0.00 57.90 59.37 2kg1 n TYR 298 Cb 0.34 -0.34 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2kg1 n TYR 298 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2kg1 n LYS 299 N 1.38 0.02 -4.27 -3.48 5.02 -1.26 -4.80 118.16 110.77 2kg1 n LYS 299 Ca 0.00 -0.91 -0.18 0.00 -2.02 0.00 0.00 58.31 55.20 2kg1 n LYS 299 Cb 0.31 -0.51 -0.08 0.00 -0.02 0.00 0.00 35.03 34.73 2kg1 n LYS 299 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kg1 s ALA 300 N -0.03 1.74 0.30 7.82 0.00 -0.94 -5.19 121.76 125.48 2kg1 s ALA 300 Ca 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 51.96 49.93 2kg1 s ALA 300 Cb 0.00 1.46 -0.01 0.00 0.00 0.00 0.00 23.12 24.57 2kg1 s ALA 300 CO 0.00 -0.66 0.38 0.95 0.00 0.00 0.00 175.76 176.43 2kg1 s THR 301 N -3.50 0.00 0.57 0.00 -4.23 -1.26 -4.97 115.64 102.25 2kg1 s THR 301 Ca 0.40 -1.71 0.32 0.00 -1.18 0.00 0.00 61.69 59.52 2kg1 s THR 301 Cb 0.03 -2.53 0.47 0.00 1.34 0.00 0.00 72.50 71.80 2kg1 s THR 301 CO 0.26 0.00 1.79 1.05 -0.54 0.00 0.00 174.62 177.17 2kg1 h GLU 302 N 2.22 0.00 0.00 3.99 4.11 -1.99 -1.16 114.58 121.75 2kg1 h GLU 302 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2kg1 h GLU 302 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kg1 h GLU 302 CO 0.40 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.75 2kg1 n ASN 303 N -3.90 0.51 -0.01 3.06 2.04 -1.26 -1.50 115.26 114.20 2kg1 n ASN 303 Ca 0.18 0.74 0.02 0.00 -0.44 0.00 0.00 54.58 55.09 2kg1 n ASN 303 Cb 1.05 -0.81 -0.05 0.00 -2.53 0.00 0.00 39.78 37.44 2kg1 n ASN 303 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2kg1 n ASP 304 N -2.19 3.59 0.14 0.53 2.03 -0.45 -4.55 116.55 115.66 2kg1 n ASP 304 Ca -0.01 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.16 2kg1 n ASP 304 Cb 0.03 1.20 -0.08 0.00 -0.72 0.00 0.00 41.12 41.55 2kg1 n ASP 304 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2kg1 h ILE 305 N 0.00 0.80 0.00 5.18 2.04 -1.22 -0.34 117.51 123.96 2kg1 h ILE 305 Ca -0.02 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2kg1 h ILE 305 Cb 0.42 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2kg1 h ILE 305 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2kg1 n TYR 306 N -5.15 0.00 0.32 1.37 0.18 -0.97 -1.36 117.16 111.55 2kg1 n TYR 306 Ca -0.09 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.72 2kg1 n TYR 306 Cb 0.22 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.19 2kg1 n TYR 306 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 2kg1 n ASN 307 N -0.87 1.21 -0.02 9.48 5.15 -0.93 -4.42 115.26 124.86 2kg1 n ASN 307 Ca 0.11 -1.11 0.04 0.00 -0.60 0.00 0.00 54.58 53.02 2kg1 n ASN 307 Cb 0.05 0.32 -0.12 0.00 -0.53 0.00 0.00 39.78 39.51 2kg1 n ASN 307 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2kg1 n PHE 308 N -0.08 0.00 0.05 1.20 -0.00 -0.18 -4.72 117.46 113.73 2kg1 n PHE 308 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.45 2kg1 n PHE 308 Cb 0.16 -0.43 -0.02 0.00 -0.00 0.00 0.00 39.48 39.20 2kg1 n PHE 308 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2kg1 h PHE 309 N 0.00 -0.19 -1.13 -5.13 0.04 -1.67 -3.49 116.94 105.37 2kg1 h PHE 309 Ca -0.10 -0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.01 2kg1 h PHE 309 Cb 0.99 0.06 -0.18 0.00 2.20 0.00 0.00 35.95 39.03 2kg1 h PHE 309 CO 0.00 -0.12 0.95 -1.12 -0.60 0.00 0.00 178.31 177.42 2kg1 s SER 310 N -4.80 -0.03 0.00 2.17 0.01 -1.26 -4.84 113.70 104.96 2kg1 s SER 310 Ca -0.03 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2kg1 s SER 310 Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2kg1 s SER 310 CO 0.09 -0.07 0.46 -0.81 0.41 0.00 0.00 173.24 173.32 2kg1 n PRO 311 N -0.19 0.58 0.00 12.44 -0.04 -1.26 -3.89 135.00 142.63 2kg1 n PRO 311 Ca -0.01 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2kg1 n PRO 311 Cb 0.59 -1.13 0.15 0.00 -0.04 0.00 0.00 33.50 33.07 2kg1 n PRO 311 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kg1 n LEU 312 N -0.19 0.00 -1.16 1.53 4.32 -1.26 -4.95 117.00 115.28 2kg1 n LEU 312 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 56.13 2kg1 n LEU 312 Cb 0.06 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.79 2kg1 n LEU 312 CO 0.00 0.00 -0.46 0.59 -1.22 0.00 0.00 177.39 176.30 2kg1 n ASN 313 N -0.98 -6.52 -4.62 -1.43 3.02 -1.25 -4.72 115.26 98.77 2kg1 n ASN 313 Ca 0.04 1.05 -0.43 0.00 -0.03 0.00 0.00 54.58 55.21 2kg1 n ASN 313 Cb 0.02 -3.90 -0.02 0.00 -0.61 0.00 0.00 39.78 35.26 2kg1 n ASN 313 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kg1 s PRO 314 N -3.68 3.64 0.00 3.52 0.04 -1.26 -4.68 135.00 132.58 2kg1 s PRO 314 Ca 0.00 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2kg1 s PRO 314 Cb 0.00 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2kg1 s PRO 314 CO 0.00 -1.48 0.16 1.33 0.04 0.00 0.00 177.00 177.05 2kg1 n VAL 315 N 6.78 0.00 -0.23 -0.36 0.24 -1.26 -5.00 118.33 118.49 2kg1 n VAL 315 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 2kg1 n VAL 315 Cb 0.46 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 2kg1 n VAL 315 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2kg1 n ARG 316 N 0.00 0.87 -2.09 7.34 1.85 -1.26 -4.80 116.66 118.57 2kg1 n ARG 316 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 2kg1 n ARG 316 Cb 0.42 -0.07 0.02 0.00 -1.05 0.00 0.00 32.46 31.78 2kg1 n ARG 316 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kg1 s VAL 317 N 0.00 2.79 0.17 8.89 -7.23 -1.26 -1.09 120.40 122.66 2kg1 s VAL 317 Ca 0.00 0.51 -0.19 0.00 -1.81 0.00 0.00 61.98 60.49 2kg1 s VAL 317 Cb 0.00 -3.22 0.05 0.00 0.56 0.00 0.00 36.38 33.77 2kg1 s VAL 317 CO 0.00 -0.08 0.53 -2.28 -0.31 0.00 0.00 175.10 172.95 2kg1 s HIS 318 N -1.60 -0.31 0.05 2.82 5.04 -0.80 -4.89 115.29 115.60 2kg1 s HIS 318 Ca 0.74 0.02 0.03 0.00 -1.54 0.00 0.00 55.06 54.30 2kg1 s HIS 318 Cb -0.29 0.43 -0.03 0.00 0.04 0.00 0.00 32.58 32.73 2kg1 s HIS 318 CO 0.33 -0.84 -0.10 0.42 -2.34 0.00 0.00 174.74 172.21 2kg1 s ILE 319 N -3.81 0.72 0.31 0.89 1.09 -1.26 -3.00 121.20 116.14 2kg1 s ILE 319 Ca 0.04 -1.18 0.03 0.00 -1.10 0.00 0.00 60.65 58.44 2kg1 s ILE 319 Cb -0.00 -0.79 -0.04 0.00 -1.06 0.00 0.00 42.46 40.57 2kg1 s ILE 319 CO -0.09 -0.35 0.14 -0.70 -0.10 0.00 0.00 174.94 173.84 2kg1 s GLU 320 N -1.71 1.59 0.14 2.79 2.56 -0.05 -4.92 118.70 119.10 2kg1 s GLU 320 Ca -0.07 -1.91 0.06 0.00 0.00 0.00 0.00 54.97 53.05 2kg1 s GLU 320 Cb -0.09 -0.19 -0.04 0.00 2.00 0.00 0.00 34.13 35.80 2kg1 s GLU 320 CO 0.01 -0.42 -0.13 0.42 -0.56 0.00 0.00 175.26 174.58 2kg1 s ILE 321 N -3.59 1.35 1.16 -3.70 -1.09 -1.26 -0.57 121.20 113.50 2kg1 s ILE 321 Ca 0.35 -1.84 -0.18 0.00 -2.23 0.00 0.00 60.65 56.76 2kg1 s ILE 321 Cb 0.05 -1.65 0.27 0.00 -1.58 0.00 0.00 42.46 39.55 2kg1 s ILE 321 CO 0.17 -0.49 1.11 -0.83 -1.23 0.00 0.00 174.94 173.66 2kg1 s GLY 322 N -2.68 1.58 0.00 6.18 0.00 -1.26 -4.84 107.32 106.30 2kg1 s GLY 322 Ca 0.12 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 44.06 2kg1 s GLY 322 CO 0.03 -0.00 1.02 -1.55 0.00 0.00 0.00 173.10 172.60 2kg1 n PRO 323 N -4.64 0.79 0.00 2.90 -0.04 -1.26 -2.96 135.00 129.79 2kg1 n PRO 323 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2kg1 n PRO 323 Cb 0.59 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 2kg1 n PRO 323 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kg1 n ASP 324 N -0.61 0.17 -2.86 3.54 5.68 -1.26 -5.04 116.55 116.17 2kg1 n ASP 324 Ca 0.04 -0.63 -0.12 0.00 -0.50 0.00 0.00 54.79 53.58 2kg1 n ASP 324 Cb 0.02 0.13 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 2kg1 n ASP 324 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kg1 n GLY 325 N 0.13 -0.49 0.07 6.12 0.00 -1.15 -4.96 105.19 104.91 2kg1 n GLY 325 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2kg1 n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kg1 n ARG 326 N -2.99 -1.43 0.00 1.61 1.74 -1.26 -4.82 116.66 109.51 2kg1 n ARG 326 Ca -0.03 -0.03 0.02 0.00 -0.77 0.00 0.00 57.85 57.04 2kg1 n ARG 326 Cb 0.53 -0.04 0.12 0.00 -1.02 0.00 0.00 32.46 32.06 2kg1 n ARG 326 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2kg1 n VAL 327 N -2.74 0.52 -0.31 1.55 0.24 -1.26 -4.77 118.33 111.56 2kg1 n VAL 327 Ca 0.00 0.13 -0.30 0.00 -2.04 0.00 0.00 64.34 62.13 2kg1 n VAL 327 Cb 0.01 -1.06 0.29 0.00 -1.47 0.00 0.00 33.84 31.61 2kg1 n VAL 327 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2kg1 n THR 328 N -1.15 0.00 -3.62 3.34 5.66 -1.26 -4.85 114.28 112.40 2kg1 n THR 328 Ca 0.03 -0.17 -0.04 0.00 -3.05 0.00 0.00 64.05 60.81 2kg1 n THR 328 Cb 0.03 -0.99 -0.02 0.00 -1.55 0.00 0.00 70.33 67.80 2kg1 n THR 328 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kg1 s GLY 329 N -2.84 -0.35 0.28 1.09 0.00 -1.26 -4.72 107.32 99.51 2kg1 s GLY 329 Ca 0.68 0.81 0.02 0.00 0.00 0.00 0.00 44.72 46.23 2kg1 s GLY 329 CO 0.60 0.24 0.25 -0.54 0.00 0.00 0.00 173.10 173.65 2kg1 s GLU 330 N -2.89 1.55 0.16 2.90 0.41 0.26 -4.57 118.70 116.51 2kg1 s GLU 330 Ca 0.10 -1.80 -0.10 0.00 -0.41 0.00 0.00 54.97 52.76 2kg1 s GLU 330 Cb 0.00 0.32 -0.00 0.00 -1.78 0.00 0.00 34.13 32.67 2kg1 s GLU 330 CO -0.04 -0.56 0.29 0.00 -0.49 0.00 0.00 175.26 174.46 2kg1 s ALA 331 N -3.71 -0.10 0.22 5.21 0.00 -1.13 -0.87 121.76 121.38 2kg1 s ALA 331 Ca 0.38 -0.79 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 2kg1 s ALA 331 Cb 0.04 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.99 2kg1 s ALA 331 CO 0.20 -0.64 0.57 0.16 0.00 0.00 0.00 175.76 176.04 2kg1 s ASP 332 N -2.95 -0.26 0.07 0.00 -4.77 -1.16 -2.40 116.67 105.20 2kg1 s ASP 332 Ca 0.15 -0.53 -0.03 0.00 -3.30 0.00 0.00 52.55 48.84 2kg1 s ASP 332 Cb 0.03 0.61 -0.03 0.00 -1.09 0.00 0.00 42.92 42.44 2kg1 s ASP 332 CO -0.02 -1.12 0.03 0.68 0.70 0.00 0.00 175.17 175.44 2kg1 s VAL 333 N -3.89 0.19 -0.45 2.11 -7.23 -0.34 -1.91 120.40 108.88 2kg1 s VAL 333 Ca 0.11 -1.69 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2kg1 s VAL 333 Cb -0.02 -1.54 0.15 0.00 0.56 0.00 0.00 36.38 35.53 2kg1 s VAL 333 CO 0.00 -0.87 0.30 -0.70 -0.31 0.00 0.00 175.10 173.52 2kg1 s GLU 334 N -3.92 1.22 0.79 4.82 2.12 -0.25 -1.44 118.70 122.03 2kg1 s GLU 334 Ca 0.08 -2.11 -0.12 0.00 0.36 0.00 0.00 54.97 53.19 2kg1 s GLU 334 Cb 0.07 -2.05 0.07 0.00 0.26 0.00 0.00 34.13 32.48 2kg1 s GLU 334 CO -0.09 -1.25 1.13 -0.06 -0.54 0.00 0.00 175.26 174.45 2kg1 s PHE 335 N 0.14 2.19 -0.49 5.30 0.08 0.55 -4.34 117.98 121.41 2kg1 s PHE 335 Ca 0.23 1.64 -0.28 0.00 0.12 0.00 0.00 56.93 58.64 2kg1 s PHE 335 Cb -0.13 -3.24 0.03 0.00 -0.57 0.00 0.00 43.02 39.10 2kg1 s PHE 335 CO -0.08 -2.25 1.10 0.00 -0.10 0.00 0.00 175.22 173.89 2kg1 s ALA 336 N -2.55 3.14 0.53 5.36 0.00 -1.26 -3.10 121.76 123.89 2kg1 s ALA 336 Ca 0.66 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2kg1 s ALA 336 Cb -0.22 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2kg1 s ALA 336 CO 0.52 -2.29 0.00 0.25 0.00 0.00 0.00 175.76 174.24 2kg1 n THR 337 N 6.73 -0.33 0.28 0.00 -2.24 -1.26 -3.27 114.28 114.19 2kg1 n THR 337 Ca 0.10 0.65 0.16 0.00 -2.27 0.00 0.00 64.05 62.69 2kg1 n THR 337 Cb 0.49 -1.13 0.75 0.00 -2.10 0.00 0.00 70.33 68.34 2kg1 n THR 337 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2kg1 h HIS 338 N -1.39 0.00 -0.29 4.78 2.76 -1.79 -3.00 115.15 116.22 2kg1 h HIS 338 Ca -0.13 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 57.96 2kg1 h HIS 338 Cb 1.36 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.31 2kg1 h HIS 338 CO 0.02 0.06 -0.15 0.93 -1.30 0.00 0.00 177.93 177.49 2kg1 h GLU 339 N 0.00 0.61 0.00 5.26 5.08 -1.87 -0.60 114.58 123.06 2kg1 h GLU 339 Ca -0.00 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.96 2kg1 h GLU 339 Cb 0.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2kg1 h GLU 339 CO 0.01 0.85 -0.63 0.93 -1.00 0.00 0.00 179.01 179.17 2kg1 h GLU 340 N 0.36 0.00 -0.13 2.33 4.39 -1.53 -2.19 114.58 117.82 2kg1 h GLU 340 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2kg1 h GLU 340 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2kg1 h GLU 340 CO 0.04 0.63 0.03 0.00 -1.16 0.00 0.00 179.01 178.55 2kg1 h ALA 341 N 1.37 0.17 0.00 3.43 0.00 -1.33 -2.34 119.26 120.55 2kg1 h ALA 341 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2kg1 h ALA 341 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2kg1 h ALA 341 CO 0.08 -0.19 -0.25 -0.39 0.00 0.00 0.00 179.25 178.51 2kg1 h VAL 342 N 0.01 0.54 0.00 0.00 -1.51 -1.17 -2.08 116.25 112.04 2kg1 h VAL 342 Ca 0.04 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2kg1 h VAL 342 Cb 0.27 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2kg1 h VAL 342 CO 0.00 0.24 0.00 0.00 -1.23 0.00 0.00 177.57 176.58 2kg1 n ALA 343 N -2.21 1.81 0.31 5.19 0.00 -0.82 -2.33 120.51 122.46 2kg1 n ALA 343 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.43 2kg1 n ALA 343 Cb 0.49 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2kg1 n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg1 n ALA 344 N -1.51 2.64 -1.00 0.00 0.00 -0.91 -4.74 120.51 114.99 2kg1 n ALA 344 Ca 0.04 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 2kg1 n ALA 344 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 2kg1 n ALA 344 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2kg1 n MET 345 N -0.23 2.79 -0.43 0.00 0.00 -0.83 -4.01 117.12 114.41 2kg1 n MET 345 Ca 0.03 -1.74 0.02 0.00 0.00 0.00 0.00 57.70 56.00 2kg1 n MET 345 Cb 0.15 -2.57 0.02 0.00 0.00 0.00 0.00 33.22 30.83 2kg1 n MET 345 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2kg1 n SER 346 N 3.79 0.38 -1.11 6.12 7.64 -1.26 -4.81 113.62 124.37 2kg1 n SER 346 Ca 0.59 -2.16 0.04 0.00 1.01 0.00 0.00 58.87 58.35 2kg1 n SER 346 Cb 0.22 -0.23 0.05 0.00 -1.01 0.00 0.00 64.21 63.24 2kg1 n SER 346 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kg1 n LYS 347 N -0.23 0.28 -1.49 1.43 4.76 -1.26 -5.04 118.16 116.61 2kg1 n LYS 347 Ca 0.03 -2.01 -0.61 0.00 -2.87 0.00 0.00 58.31 52.85 2kg1 n LYS 347 Cb 0.69 -0.39 -0.10 0.00 -1.84 0.00 0.00 35.03 33.38 2kg1 n LYS 347 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2kg1 n ASP 348 N 0.09 1.28 -3.04 4.39 5.75 -1.26 -0.67 116.55 123.09 2kg1 n ASP 348 Ca 0.07 0.86 -0.17 0.00 -0.01 0.00 0.00 54.79 55.54 2kg1 n ASP 348 Cb 0.97 -0.97 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 2kg1 n ASP 348 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kg1 n ARG 349 N 6.22 -1.73 -1.61 0.11 1.85 -1.26 -4.91 116.66 115.33 2kg1 n ARG 349 Ca 0.42 0.06 -0.30 0.00 -1.00 0.00 0.00 57.85 57.03 2kg1 n ARG 349 Cb 0.01 -3.77 0.18 0.00 -1.05 0.00 0.00 32.46 27.82 2kg1 n ARG 349 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kg1 s ALA 350 N -2.22 1.73 0.98 2.89 0.00 0.15 -4.41 121.76 120.88 2kg1 s ALA 350 Ca 0.33 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 2kg1 s ALA 350 Cb -0.19 -2.89 0.18 0.00 0.00 0.00 0.00 23.12 20.22 2kg1 s ALA 350 CO 0.41 -2.63 1.09 1.21 0.00 0.00 0.00 175.76 175.84 2kg1 s ASN 351 N -4.39 2.78 0.00 0.00 2.47 -1.26 -2.38 114.94 112.17 2kg1 s ASN 351 Ca 0.70 1.24 0.00 0.00 0.42 0.00 0.00 52.86 55.22 2kg1 s ASN 351 Cb -0.09 -1.91 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 2kg1 s ASN 351 CO 0.54 -3.04 0.00 0.80 -3.72 0.00 0.00 177.10 171.68 2kg1 n MET 352 N -4.12 0.00 0.00 0.43 0.00 -1.24 -4.84 117.12 107.35 2kg1 n MET 352 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.76 2kg1 n MET 352 Cb 0.57 -0.43 0.00 0.00 0.00 0.00 0.00 33.22 33.36 2kg1 n MET 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg1 n GLN 353 N -0.87 0.00 0.00 2.12 10.64 -1.26 -4.97 117.38 123.04 2kg1 n GLN 353 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2kg1 n GLN 353 Cb 0.00 -0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.37 2kg1 n GLN 353 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84 2kg1 n HIS 354 N -1.82 0.00 -3.82 2.61 1.44 -1.26 -5.16 115.22 107.21 2kg1 n HIS 354 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 2kg1 n HIS 354 Cb 0.00 0.08 -0.04 0.00 0.12 0.00 0.00 29.99 30.15 2kg1 n HIS 354 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2kg1 s ARG 355 N 0.00 1.53 -0.04 -1.40 3.52 -1.26 -5.13 118.95 116.17 2kg1 s ARG 355 Ca 0.00 -0.98 -0.37 0.00 -0.13 0.00 0.00 55.73 54.25 2kg1 s ARG 355 Cb 0.00 0.54 -0.16 0.00 -1.56 0.00 0.00 34.95 33.77 2kg1 s ARG 355 CO 0.00 -0.67 1.54 0.98 -0.81 0.00 0.00 175.30 176.34 2kg1 n TYR 356 N -0.39 1.83 -3.85 5.12 9.36 -1.26 -3.58 117.16 124.39 2kg1 n TYR 356 Ca -0.07 0.52 -0.10 0.00 3.32 0.00 0.00 57.90 61.57 2kg1 n TYR 356 Cb 0.61 -2.42 -0.08 0.00 -0.63 0.00 0.00 39.34 36.83 2kg1 n TYR 356 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2kg1 s ILE 357 N 1.79 0.12 0.07 2.97 -1.09 -1.00 -4.97 121.20 119.08 2kg1 s ILE 357 Ca 0.89 -1.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.20 2kg1 s ILE 357 Cb -0.94 -1.08 0.01 0.00 -1.58 0.00 0.00 42.46 38.86 2kg1 s ILE 357 CO 0.52 -0.55 0.26 -1.61 -1.23 0.00 0.00 174.94 172.33 2kg1 s GLU 358 N -3.09 0.84 -0.12 2.79 2.02 -1.25 -2.55 118.70 117.34 2kg1 s GLU 358 Ca -0.01 -0.72 -0.13 0.00 0.02 0.00 0.00 54.97 54.13 2kg1 s GLU 358 Cb 0.01 0.35 0.03 0.00 0.10 0.00 0.00 34.13 34.63 2kg1 s GLU 358 CO -0.07 -0.28 0.36 -0.48 0.02 0.00 0.00 175.26 174.81 2kg1 s LEU 359 N -2.46 0.64 -0.06 1.80 -0.00 -1.26 -0.98 118.68 116.36 2kg1 s LEU 359 Ca -0.00 0.64 -0.01 0.00 -0.00 0.00 0.00 54.13 54.76 2kg1 s LEU 359 Cb 0.02 1.25 0.03 0.00 -0.00 0.00 0.00 46.19 47.49 2kg1 s LEU 359 CO -0.07 -0.17 -0.01 0.12 -0.00 0.00 0.00 176.35 176.22 2kg1 s PHE 360 N -0.02 0.65 0.32 3.48 2.19 -0.21 -4.56 117.98 119.83 2kg1 s PHE 360 Ca -0.02 -0.16 -0.29 0.00 0.33 0.00 0.00 56.93 56.80 2kg1 s PHE 360 Cb -0.03 -0.74 -0.12 0.00 -1.31 0.00 0.00 43.02 40.82 2kg1 s PHE 360 CO 0.01 -0.29 1.35 -0.11 1.83 0.00 0.00 175.22 178.01 2kg1 n LEU 361 N 4.86 3.61 -2.90 6.12 -0.00 -1.26 -0.82 117.00 126.60 2kg1 n LEU 361 Ca -0.12 1.19 -0.13 0.00 -0.00 0.00 0.00 56.01 56.96 2kg1 n LEU 361 Cb 0.50 -1.49 0.03 0.00 -0.00 0.00 0.00 43.42 42.46 2kg1 n LEU 361 CO 0.14 -0.40 0.00 -3.20 -0.00 0.00 0.00 177.39 173.93 2kg1 n ASN 362 N 1.09 0.02 -2.95 1.96 5.15 -0.74 -4.80 115.26 114.98 2kg1 n ASN 362 Ca 0.06 -3.00 -0.10 0.00 -0.60 0.00 0.00 54.58 50.94 2kg1 n ASN 362 Cb 0.35 0.11 0.02 0.00 -0.53 0.00 0.00 39.78 39.73 2kg1 n ASN 362 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2kg1 s SER 363 N -2.23 0.14 0.08 1.20 1.04 -1.19 -3.34 113.70 109.39 2kg1 s SER 363 Ca 0.31 -1.20 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 2kg1 s SER 363 Cb 0.37 0.83 -0.01 0.00 0.10 0.00 0.00 66.02 67.31 2kg1 s SER 363 CO -0.04 -1.65 0.12 0.28 0.98 0.00 0.00 173.24 172.93 2kg1 s THR 364 N -2.38 0.17 0.27 2.02 -1.32 -1.26 -5.04 115.64 108.10 2kg1 s THR 364 Ca 0.18 -1.39 -0.30 0.00 -1.21 0.00 0.00 61.69 58.97 2kg1 s THR 364 Cb -0.04 -1.40 -0.14 0.00 -1.51 0.00 0.00 72.50 69.41 2kg1 s THR 364 CO 0.13 -0.77 1.21 1.07 -2.21 0.00 0.00 174.62 174.05 2kg1 n THR 365 N -0.00 1.52 -3.35 5.08 5.66 -1.26 -4.49 114.28 117.45 2kg1 n THR 365 Ca -0.15 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 2kg1 n THR 365 Cb 0.62 -1.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 2kg1 n THR 365 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kg1 n GLY 366 N 1.51 -1.08 1.88 1.09 0.00 -1.26 -4.98 105.19 102.34 2kg1 n GLY 366 Ca 0.10 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.24 2kg1 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kg1 n ALA 367 N 0.00 2.58 -0.77 4.61 0.00 -1.26 -4.27 120.51 121.40 2kg1 n ALA 367 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 53.44 51.20 2kg1 n ALA 367 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2kg1 n ALA 367 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kg1 n SER 368 N 0.05 -3.18 -1.68 0.00 7.64 -1.26 -3.64 113.62 111.56 2kg1 n SER 368 Ca 0.02 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.83 2kg1 n SER 368 Cb 1.00 -2.96 -0.02 0.00 -1.01 0.00 0.00 64.21 61.21 2kg1 n SER 368 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kg1 n ASN 369 N -0.52 -2.07 0.00 6.43 5.15 -1.26 -4.56 115.26 118.42 2kg1 n ASN 369 Ca 0.00 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 2kg1 n ASN 369 Cb 0.26 -2.04 0.00 0.00 -0.53 0.00 0.00 39.78 37.48 2kg1 n ASN 369 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kg1 n GLY 370 N -0.33 -0.54 0.00 8.20 0.00 -1.24 -5.15 105.19 106.13 2kg1 n GLY 370 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2kg1 n GLY 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kg1 n ALA 371 N 0.00 0.00 -2.31 4.61 0.00 -1.26 -5.07 120.51 116.48 2kg1 n ALA 371 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2kg1 n ALA 371 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2kg1 n ALA 371 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kg1 s TYR 372 N 0.56 1.53 0.00 0.00 1.13 -1.26 -4.42 117.35 114.88 2kg1 s TYR 372 Ca 0.00 -0.66 0.16 0.00 -1.41 0.00 0.00 57.07 55.17 2kg1 s TYR 372 Cb 0.00 -0.74 0.27 0.00 -1.10 0.00 0.00 41.96 40.39 2kg1 s TYR 372 CO 0.00 0.24 1.10 0.43 -2.51 0.00 0.00 175.55 174.80 2kg1 n SER 373 N -0.31 0.31 0.00 -0.18 7.64 -1.26 -4.92 113.62 114.90 2kg1 n SER 373 Ca -0.09 -1.98 0.02 0.00 1.01 0.00 0.00 58.87 57.83 2kg1 n SER 373 Cb 0.61 -0.10 0.11 0.00 -1.01 0.00 0.00 64.21 63.81 2kg1 n SER 373 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2kg1 n SER 374 N 0.31 0.00 -3.82 6.43 3.41 -1.26 -4.64 113.62 114.06 2kg1 n SER 374 Ca -0.05 0.11 -0.11 0.00 -0.26 0.00 0.00 58.87 58.55 2kg1 n SER 374 Cb 0.98 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.65 2kg1 n SER 374 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2kg1 s GLN 375 N -2.37 0.68 0.01 4.33 2.00 -1.26 -5.03 119.66 118.02 2kg1 s GLN 375 Ca 0.05 -0.50 0.07 0.00 -2.00 0.00 0.00 55.36 52.98 2kg1 s GLN 375 Cb 0.03 0.29 0.32 0.00 0.80 0.00 0.00 33.01 34.45 2kg1 s GLN 375 CO 0.06 -0.20 1.24 1.55 -0.50 0.00 0.00 175.29 177.43 2kg1 n VAL 376 N 0.87 1.51 1.40 1.34 3.14 -1.26 -2.21 118.33 123.12 2kg1 n VAL 376 Ca -0.20 0.39 0.04 0.00 -2.96 0.00 0.00 64.34 61.62 2kg1 n VAL 376 Cb 0.58 -1.28 0.26 0.00 -1.06 0.00 0.00 33.84 32.35 2kg1 n VAL 376 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2kg1 n MET 377 N -1.53 0.70 -0.11 1.45 2.81 -1.26 -1.92 117.12 117.26 2kg1 n MET 377 Ca 0.02 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.94 2kg1 n MET 377 Cb 0.08 -1.20 0.09 0.00 -0.71 0.00 0.00 33.22 31.48 2kg1 n MET 377 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2kg1 n GLN 378 N -0.70 2.82 0.00 0.03 1.13 -0.94 -4.65 117.38 115.08 2kg1 n GLN 378 Ca 0.07 -1.90 0.00 0.00 -1.94 0.00 0.00 57.00 53.23 2kg1 n GLN 378 Cb 0.03 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.18 2kg1 n GLN 378 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kg1 n GLY 379 N -0.15 0.97 3.32 1.08 0.00 -1.06 -4.99 105.19 104.36 2kg1 n GLY 379 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2kg1 n GLY 379 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kg1 s MET 380 N 0.00 1.08 0.00 1.61 -2.45 -0.81 -5.13 119.30 113.60 2kg1 s MET 380 Ca 0.00 -0.74 0.00 0.00 -1.25 0.00 0.00 55.69 53.70 2kg1 s MET 380 Cb 0.00 0.46 0.00 0.00 1.25 0.00 0.00 34.83 36.54 2kg1 s MET 380 CO 0.00 -0.42 0.00 0.41 1.05 0.00 0.00 175.02 176.06