#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ngr h PRO 261 N 0.00 0.00 -0.19 3.23 0.11 -2.00 -3.25 132.00 129.90 2ngr h PRO 261 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2ngr h PRO 261 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2ngr h PRO 261 CO 0.00 0.32 0.00 0.09 -0.21 0.00 0.00 178.00 178.20 2ngr n ASN 262 N -3.22 2.27 -4.71 -2.05 3.02 -1.26 -4.99 115.26 104.33 2ngr n ASN 262 Ca 0.02 -1.79 -0.63 0.00 -0.03 0.00 0.00 54.58 52.15 2ngr n ASN 262 Cb 0.62 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.59 2ngr n ASN 262 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2ngr n GLN 263 N 0.73 0.40 -0.07 3.52 -0.06 -1.21 -4.43 117.38 116.26 2ngr n GLN 263 Ca 0.17 0.15 -0.07 0.00 -2.00 0.00 0.00 57.00 55.25 2ngr n GLN 263 Cb 0.44 -1.71 -0.10 0.00 -4.06 0.00 0.00 30.24 24.81 2ngr n GLN 263 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2ngr n GLN 264 N 4.11 1.64 -3.67 3.69 1.13 -1.26 -4.88 117.38 118.14 2ngr n GLN 264 Ca 0.28 0.01 -0.37 0.00 -1.94 0.00 0.00 57.00 54.98 2ngr n GLN 264 Cb 0.02 -1.34 -0.07 0.00 0.11 0.00 0.00 30.24 28.97 2ngr n GLN 264 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2ngr s PHE 265 N -2.32 3.56 0.00 1.08 0.40 -1.26 -4.32 117.98 115.12 2ngr s PHE 265 Ca -0.09 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 2ngr s PHE 265 Cb 0.04 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.41 2ngr s PHE 265 CO 0.52 0.51 0.00 0.41 0.70 0.00 0.00 175.22 177.36 2ngr n GLY 266 N 2.57 0.53 3.34 4.36 0.00 -1.23 -5.05 105.19 109.71 2ngr n GLY 266 Ca -0.16 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 2ngr n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ngr s VAL 267 N -2.00 2.76 0.63 1.61 1.01 -1.26 -4.48 120.40 118.67 2ngr s VAL 267 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 2ngr s VAL 267 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2ngr s VAL 267 CO 0.00 0.54 1.00 -1.54 0.00 0.00 0.00 175.10 175.11 2ngr n SER 268 N 3.34 0.87 0.26 3.32 3.41 -1.26 -4.77 113.62 118.80 2ngr n SER 268 Ca -0.18 0.78 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 2ngr n SER 268 Cb 0.53 -1.41 0.75 0.00 -0.26 0.00 0.00 64.21 63.81 2ngr n SER 268 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2ngr h LEU 269 N 0.35 0.00 -0.13 1.04 3.38 -1.99 -1.83 115.31 116.13 2ngr h LEU 269 Ca -0.49 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2ngr h LEU 269 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2ngr h LEU 269 CO 0.50 0.00 -0.12 -0.61 0.09 0.00 0.00 178.44 178.31 2ngr h GLN 270 N 0.00 0.31 0.00 1.13 4.15 -2.00 -3.10 115.11 115.61 2ngr h GLN 270 Ca 0.02 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.17 2ngr h GLN 270 Cb 0.07 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2ngr h GLN 270 CO -0.00 0.70 -0.52 0.45 -1.93 0.00 0.00 178.83 177.52 2ngr h HIS 271 N -0.06 0.00 -0.73 3.99 3.86 -1.75 -2.59 115.15 117.88 2ngr h HIS 271 Ca 0.02 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 2ngr h HIS 271 Cb 0.63 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 2ngr h HIS 271 CO 0.08 0.52 0.21 -0.07 0.86 0.00 0.00 177.93 179.53 2ngr h LEU 272 N 0.00 1.07 -0.35 2.43 3.38 -1.38 -2.81 115.31 117.65 2ngr h LEU 272 Ca -0.01 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 2ngr h LEU 272 Cb 0.93 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2ngr h LEU 272 CO 0.07 1.01 -0.83 -0.61 0.09 0.00 0.00 178.44 178.16 2ngr h GLN 273 N 1.08 0.04 -0.37 1.13 5.75 -1.47 -3.25 115.11 118.02 2ngr h GLN 273 Ca 0.23 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.64 2ngr h GLN 273 Cb 0.33 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 2ngr h GLN 273 CO -0.00 0.84 0.03 0.93 -2.65 0.00 0.00 178.83 177.98 2ngr h GLU 274 N 0.02 0.57 -0.63 1.69 5.08 -1.22 -2.29 114.58 117.80 2ngr h GLU 274 Ca -0.02 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2ngr h GLU 274 Cb 1.46 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2ngr h GLU 274 CO 0.11 0.57 0.00 0.36 -1.00 0.00 0.00 179.01 179.05 2ngr n LYS 275 N -4.29 3.31 -4.46 2.33 2.85 -1.09 -4.86 118.16 111.95 2ngr n LYS 275 Ca 0.02 -2.35 -0.33 0.00 -1.05 0.00 0.00 58.31 54.60 2ngr n LYS 275 Cb 0.23 -1.81 -0.16 0.00 -0.65 0.00 0.00 35.03 32.65 2ngr n LYS 275 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2ngr s ASN 276 N -0.80 3.43 0.54 -5.58 2.47 -0.86 -5.03 114.94 109.11 2ngr s ASN 276 Ca 0.42 -0.54 0.23 0.00 0.42 0.00 0.00 52.86 53.39 2ngr s ASN 276 Cb 0.27 -1.52 1.47 0.00 -1.45 0.00 0.00 41.25 40.03 2ngr s ASN 276 CO 0.19 0.06 2.16 1.55 -3.72 0.00 0.00 177.10 177.35 2ngr h PRO 277 N 7.47 0.00 -6.52 0.43 0.13 -1.89 -3.44 132.00 128.18 2ngr h PRO 277 Ca -0.35 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.31 2ngr h PRO 277 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ngr h PRO 277 CO 0.58 0.04 -0.19 -1.21 -0.23 0.00 0.00 178.00 176.99 2ngr s GLU 278 N -4.72 3.37 -0.87 0.86 8.01 -1.26 -5.02 118.70 119.08 2ngr s GLU 278 Ca -0.05 -0.43 -0.20 0.00 0.01 0.00 0.00 54.97 54.30 2ngr s GLU 278 Cb 0.16 -2.66 0.11 0.00 -4.31 0.00 0.00 34.13 27.42 2ngr s GLU 278 CO 0.61 0.07 1.10 -1.14 0.01 0.00 0.00 175.26 175.92 2ngr s GLN 279 N -4.34 3.47 -0.53 1.61 2.00 -1.26 -4.93 119.66 115.68 2ngr s GLN 279 Ca 0.42 -1.50 0.03 0.00 -2.00 0.00 0.00 55.36 52.31 2ngr s GLN 279 Cb -0.10 -4.77 0.13 0.00 0.80 0.00 0.00 33.01 29.08 2ngr s GLN 279 CO 0.36 -1.80 0.28 -1.21 -0.50 0.00 0.00 175.29 172.41 2ngr s GLU 280 N 3.14 2.04 0.00 1.67 2.02 -1.26 -4.94 118.70 121.38 2ngr s GLU 280 Ca 0.31 -2.61 0.09 0.00 0.02 0.00 0.00 54.97 52.78 2ngr s GLU 280 Cb -0.08 -3.37 0.57 0.00 0.10 0.00 0.00 34.13 31.35 2ngr s GLU 280 CO -0.05 -1.12 0.99 -0.35 0.02 0.00 0.00 175.26 174.76 2ngr n PRO 281 N 3.15 0.35 -3.90 0.39 -0.04 -1.26 -4.39 135.00 129.30 2ngr n PRO 281 Ca 0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 2ngr n PRO 281 Cb 0.33 -1.43 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 2ngr n PRO 281 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ngr s ILE 282 N -2.00 1.10 0.74 0.52 -1.09 -1.26 -4.44 121.20 114.77 2ngr s ILE 282 Ca 0.14 -0.55 -0.15 0.00 -2.23 0.00 0.00 60.65 57.86 2ngr s ILE 282 Cb 0.07 -1.24 0.03 0.00 -1.58 0.00 0.00 42.46 39.74 2ngr s ILE 282 CO 0.11 0.19 1.07 -2.65 -1.23 0.00 0.00 174.94 172.43 2ngr n PRO 283 N 4.89 0.48 -0.36 2.79 -0.02 -1.26 -4.80 135.00 136.71 2ngr n PRO 283 Ca -0.12 0.22 0.01 0.00 -2.02 0.00 0.00 63.50 61.59 2ngr n PRO 283 Cb 0.48 -2.32 0.15 0.00 -0.02 0.00 0.00 33.50 31.79 2ngr n PRO 283 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2ngr h ILE 284 N -0.37 1.12 -0.84 4.25 2.10 -1.99 -2.61 117.51 119.17 2ngr h ILE 284 Ca -0.47 -0.40 -0.02 0.00 1.08 0.00 0.00 64.86 65.05 2ngr h ILE 284 Cb 1.32 -0.15 -0.04 0.00 -1.09 0.00 0.00 36.82 36.86 2ngr h ILE 284 CO 0.47 0.21 0.46 0.58 -1.08 0.00 0.00 178.15 178.79 2ngr h VAL 285 N 1.17 1.25 -0.07 2.19 2.07 -1.97 -1.20 116.25 119.69 2ngr h VAL 285 Ca 0.40 -0.61 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 2ngr h VAL 285 Cb 0.09 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2ngr h VAL 285 CO -0.15 0.28 -0.67 -0.07 0.02 0.00 0.00 177.57 176.98 2ngr h LEU 286 N 1.18 0.71 -0.16 2.57 3.38 -1.90 -2.31 115.31 118.78 2ngr h LEU 286 Ca 0.30 -0.68 0.04 0.00 0.09 0.00 0.00 57.88 57.62 2ngr h LEU 286 Cb 0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2ngr h LEU 286 CO -0.05 1.29 -0.07 0.03 0.09 0.00 0.00 178.44 179.73 2ngr h ARG 287 N 0.19 -0.05 -0.08 1.13 3.08 -1.30 -1.71 114.38 115.65 2ngr h ARG 287 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2ngr h ARG 287 Cb 1.33 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 2ngr h ARG 287 CO 0.13 -0.03 -0.09 0.93 -1.07 0.00 0.00 179.97 179.84 2ngr h GLU 288 N -0.05 0.20 -0.79 0.04 5.08 -1.29 -2.28 114.58 115.48 2ngr h GLU 288 Ca 0.09 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2ngr h GLU 288 Cb 0.18 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2ngr h GLU 288 CO -0.19 0.65 0.39 1.79 -1.00 0.00 0.00 179.01 180.64 2ngr h THR 289 N -0.24 1.25 -0.03 1.13 1.35 -1.43 -2.15 112.91 112.79 2ngr h THR 289 Ca 0.01 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2ngr h THR 289 Cb 0.62 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2ngr h THR 289 CO 0.02 0.29 0.01 0.58 -0.25 0.00 0.00 175.52 176.17 2ngr h VAL 290 N 1.11 1.20 -0.69 6.82 2.07 -1.36 -1.21 116.25 124.19 2ngr h VAL 290 Ca 0.27 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.28 2ngr h VAL 290 Cb 0.11 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 2ngr h VAL 290 CO -0.04 0.16 0.33 0.00 0.02 0.00 0.00 177.57 178.04 2ngr h ALA 291 N 0.77 0.94 -0.22 1.67 0.00 -1.29 -1.01 119.26 120.11 2ngr h ALA 291 Ca 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2ngr h ALA 291 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ngr h ALA 291 CO 0.00 -0.08 -0.12 -0.92 0.00 0.00 0.00 179.25 178.14 2ngr h TYR 292 N 0.56 0.54 -0.37 0.00 5.03 -1.35 -3.19 116.97 118.19 2ngr h TYR 292 Ca 0.34 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2ngr h TYR 292 Cb 0.37 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 2ngr h TYR 292 CO -0.12 0.75 0.24 -0.07 -1.32 0.00 0.00 178.16 177.64 2ngr h LEU 293 N 0.17 0.42 -0.41 2.82 3.38 -0.74 -1.74 115.31 119.21 2ngr h LEU 293 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ngr h LEU 293 Cb 0.62 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2ngr h LEU 293 CO 0.03 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.87 2ngr n GLN 294 N -4.83 0.85 0.00 1.13 10.64 -0.43 -0.02 117.38 124.73 2ngr n GLN 294 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2ngr n GLN 294 Cb 0.02 -1.17 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 2ngr n GLN 294 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ngr n ALA 295 N -0.27 1.48 0.00 2.61 0.00 -0.76 -4.86 120.51 118.70 2ngr n ALA 295 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ngr n ALA 295 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2ngr n ALA 295 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2ngr n HIS 296 N -0.86 0.00 -1.20 0.00 8.25 -0.73 -4.95 115.22 115.73 2ngr n HIS 296 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 2ngr n HIS 296 Cb 0.00 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.20 2ngr n HIS 296 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ngr n ALA 297 N -0.04 2.12 0.24 -1.41 0.00 0.97 -4.80 120.51 117.58 2ngr n ALA 297 Ca 0.00 -1.97 0.13 0.00 0.00 0.00 0.00 53.44 51.59 2ngr n ALA 297 Cb 0.00 -0.36 0.64 0.00 0.00 0.00 0.00 19.45 19.73 2ngr n ALA 297 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2ngr h LEU 298 N 0.00 0.00 -2.76 0.00 3.38 -1.89 -2.45 115.31 111.59 2ngr h LEU 298 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ngr h LEU 298 Cb 1.05 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 2ngr h LEU 298 CO 0.00 0.00 -0.44 0.35 0.09 0.00 0.00 178.44 178.44 2ngr n THR 299 N -2.37 1.17 -2.75 0.22 -2.24 -1.26 -4.65 114.28 102.40 2ngr n THR 299 Ca -0.01 -1.74 -0.42 0.00 -2.27 0.00 0.00 64.05 59.61 2ngr n THR 299 Cb 0.09 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2ngr n THR 299 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2ngr s THR 300 N -1.75 4.76 -0.21 4.28 2.01 -0.93 -4.30 115.64 119.51 2ngr s THR 300 Ca 0.26 1.87 -0.35 0.00 0.31 0.00 0.00 61.69 63.79 2ngr s THR 300 Cb 0.26 -4.24 -0.12 0.00 0.01 0.00 0.00 72.50 68.41 2ngr s THR 300 CO -0.04 -0.09 1.98 -0.62 -0.69 0.00 0.00 174.62 175.16 2ngr n GLU 301 N 5.85 1.67 -3.21 4.92 -0.58 -1.26 -2.25 120.64 125.79 2ngr n GLU 301 Ca 0.09 0.57 -0.16 0.00 -0.42 0.00 0.00 57.16 57.24 2ngr n GLU 301 Cb 0.47 -2.56 0.05 0.00 -0.57 0.00 0.00 31.44 28.84 2ngr n GLU 301 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ngr n GLY 302 N 5.13 -0.03 3.70 0.62 0.00 0.18 -4.94 105.19 109.85 2ngr n GLY 302 Ca 0.29 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2ngr n GLY 302 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ngr s ILE 303 N -3.21 3.36 0.00 -0.61 1.10 -0.95 -1.95 121.20 118.94 2ngr s ILE 303 Ca 0.37 0.86 0.00 0.00 -0.51 0.00 0.00 60.65 61.37 2ngr s ILE 303 Cb -0.16 -3.55 0.00 0.00 0.15 0.00 0.00 42.46 38.89 2ngr s ILE 303 CO 0.48 0.02 0.00 0.49 -2.11 0.00 0.00 174.94 173.82 2ngr n PHE 304 N 4.93 0.00 -0.02 3.50 3.72 -1.26 -4.84 117.46 123.49 2ngr n PHE 304 Ca 0.13 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.58 2ngr n PHE 304 Cb 0.42 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.85 2ngr n PHE 304 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ngr n ALA 305 N -0.47 2.36 -2.76 4.37 0.00 -0.82 -4.92 120.51 118.26 2ngr n ALA 305 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 2ngr n ALA 305 Cb 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 2ngr n ALA 305 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ngr s ARG 306 N -2.86 3.57 0.68 0.00 0.52 -1.10 -5.10 118.95 114.65 2ngr s ARG 306 Ca -0.06 -0.16 -0.05 0.00 -0.52 0.00 0.00 55.73 54.94 2ngr s ARG 306 Cb 0.08 -2.97 0.06 0.00 0.52 0.00 0.00 34.95 32.64 2ngr s ARG 306 CO 0.59 0.56 0.98 -1.12 0.02 0.00 0.00 175.30 176.33 2ngr s SER 307 N -2.20 4.89 0.30 0.23 0.01 -1.26 -4.83 113.70 110.83 2ngr s SER 307 Ca 0.35 0.39 0.03 0.00 1.31 0.00 0.00 55.95 58.02 2ngr s SER 307 Cb -0.13 -1.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.98 2ngr s SER 307 CO 0.23 -1.53 0.09 0.00 0.41 0.00 0.00 173.24 172.44 2ngr s ALA 308 N -3.17 2.08 -0.23 1.44 0.00 -1.26 -4.94 121.76 115.68 2ngr s ALA 308 Ca 0.60 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 2ngr s ALA 308 Cb -0.11 0.89 -0.07 0.00 0.00 0.00 0.00 23.12 23.83 2ngr s ALA 308 CO 0.44 -0.40 2.19 -1.71 0.00 0.00 0.00 175.76 176.28 2ngr n ASN 309 N -0.65 3.06 -0.22 0.00 2.85 -1.26 -4.86 115.26 114.18 2ngr n ASN 309 Ca -0.01 0.33 0.02 0.00 -0.11 0.00 0.00 54.58 54.80 2ngr n ASN 309 Cb 0.66 -1.48 0.13 0.00 1.24 0.00 0.00 39.78 40.34 2ngr n ASN 309 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2ngr h THR 310 N 6.97 0.69 -0.04 -0.44 1.35 -2.00 -1.14 112.91 118.29 2ngr h THR 310 Ca -0.39 -0.12 -0.07 0.00 -0.55 0.00 0.00 66.41 65.28 2ngr h THR 310 Cb 1.26 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 2ngr h THR 310 CO 0.97 0.07 -0.30 -0.61 -0.25 0.00 0.00 175.52 175.40 2ngr h GLN 311 N 0.36 0.07 -0.08 4.72 -0.00 -2.00 -2.66 115.11 115.52 2ngr h GLN 311 Ca 0.34 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.84 2ngr h GLN 311 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.95 2ngr h GLN 311 CO -0.37 0.37 -0.54 0.28 0.00 0.00 0.00 178.83 178.56 2ngr h VAL 312 N 0.07 1.36 -0.13 2.39 2.07 -1.62 -2.70 116.25 117.69 2ngr h VAL 312 Ca 0.01 -1.84 -0.15 0.00 0.82 0.00 0.00 66.70 65.54 2ngr h VAL 312 Cb 0.56 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2ngr h VAL 312 CO 0.04 0.55 -0.57 -0.37 0.02 0.00 0.00 177.57 177.24 2ngr h VAL 313 N 0.19 1.35 0.00 2.57 -1.51 -1.05 -2.72 116.25 115.08 2ngr h VAL 313 Ca 0.00 -1.86 -0.07 0.00 -1.23 0.00 0.00 66.70 63.54 2ngr h VAL 313 Cb 1.02 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 2ngr h VAL 313 CO 0.08 0.56 -0.36 0.03 -1.23 0.00 0.00 177.57 176.66 2ngr h ARG 314 N 0.30 0.00 -0.28 5.19 3.08 -1.39 -1.28 114.38 120.01 2ngr h ARG 314 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2ngr h ARG 314 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 2ngr h ARG 314 CO 0.10 0.36 -0.43 1.49 -1.07 0.00 0.00 179.97 180.42 2ngr h GLU 315 N 0.00 0.79 -0.04 0.04 4.81 -1.20 -2.14 114.58 116.83 2ngr h GLU 315 Ca -0.00 -0.47 -0.16 0.00 -0.13 0.00 0.00 59.36 58.60 2ngr h GLU 315 Cb 0.70 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2ngr h GLU 315 CO 0.05 1.10 -0.67 0.28 -0.73 0.00 0.00 179.01 179.04 2ngr h VAL 316 N 0.55 1.42 -0.53 0.32 2.07 -1.26 -2.87 116.25 115.95 2ngr h VAL 316 Ca 0.03 -2.16 -0.07 0.00 0.82 0.00 0.00 66.70 65.32 2ngr h VAL 316 Cb 1.02 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2ngr h VAL 316 CO 0.10 0.63 0.07 1.56 0.02 0.00 0.00 177.57 179.95 2ngr h GLN 317 N 0.14 0.89 -0.54 1.57 4.20 -1.18 -2.01 115.11 118.16 2ngr h GLN 317 Ca -0.01 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.45 2ngr h GLN 317 Cb 1.20 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 2ngr h GLN 317 CO 0.10 0.88 0.36 0.37 -0.67 0.00 0.00 178.83 179.87 2ngr h GLN 318 N 0.77 0.72 -0.72 1.46 5.75 -1.33 -0.80 115.11 120.96 2ngr h GLN 318 Ca 0.16 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2ngr h GLN 318 Cb 0.43 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 2ngr h GLN 318 CO 0.01 0.48 0.46 0.87 -2.65 0.00 0.00 178.83 178.01 2ngr h LYS 319 N 0.74 0.91 -0.43 1.69 1.57 -1.28 -0.75 116.57 119.01 2ngr h LYS 319 Ca 0.20 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2ngr h LYS 319 Cb -0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2ngr h LYS 319 CO -0.04 0.60 -0.19 1.88 -0.57 0.00 0.00 179.45 181.13 2ngr h TYR 320 N 0.93 0.93 0.00 -1.35 0.05 -0.94 -0.26 116.97 116.33 2ngr h TYR 320 Ca 0.27 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2ngr h TYR 320 Cb -0.06 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.45 2ngr h TYR 320 CO -0.03 0.95 0.00 -0.91 -1.05 0.00 0.00 178.16 177.12 2ngr h ASN 321 N 0.73 0.00 0.13 3.88 2.35 -0.75 -2.84 115.58 119.09 2ngr h ASN 321 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2ngr h ASN 321 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2ngr h ASN 321 CO 0.05 0.00 -0.36 0.23 -1.65 0.00 0.00 177.43 175.71 2ngr n MET 322 N -2.39 0.98 -1.08 0.81 2.81 -0.33 -3.36 117.12 114.57 2ngr n MET 322 Ca 0.04 -0.70 -0.03 0.00 -1.81 0.00 0.00 57.70 55.20 2ngr n MET 322 Cb 0.36 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.38 2ngr n MET 322 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ngr n GLY 323 N 1.37 0.58 3.86 3.03 0.00 -1.03 -4.94 105.19 108.07 2ngr n GLY 323 Ca 0.11 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2ngr n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ngr s LEU 324 N -0.61 3.47 0.36 0.99 1.43 -0.14 -5.03 118.68 119.15 2ngr s LEU 324 Ca 0.00 1.47 -0.26 0.00 -1.03 0.00 0.00 54.13 54.30 2ngr s LEU 324 Cb 0.00 -4.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.68 2ngr s LEU 324 CO 0.00 -0.69 1.15 -2.16 0.23 0.00 0.00 176.35 174.87 2ngr s PRO 325 N -4.54 4.25 -0.11 1.29 0.04 -1.26 -4.52 135.00 130.14 2ngr s PRO 325 Ca 0.57 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.43 2ngr s PRO 325 Cb -0.10 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.63 2ngr s PRO 325 CO 0.41 -0.15 -0.14 0.08 0.04 0.00 0.00 177.00 177.24 2ngr s VAL 326 N -1.36 1.43 -0.22 -0.36 1.01 -1.26 -4.97 120.40 114.66 2ngr s VAL 326 Ca 0.53 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2ngr s VAL 326 Cb -0.30 -1.32 0.05 0.00 0.00 0.00 0.00 36.38 34.80 2ngr s VAL 326 CO 0.39 0.43 -0.11 -0.62 0.00 0.00 0.00 175.10 175.18 2ngr s ASP 327 N 1.10 3.73 0.00 3.32 2.15 -1.26 -4.99 116.67 120.72 2ngr s ASP 327 Ca -0.05 -1.04 0.19 0.00 0.43 0.00 0.00 52.55 52.09 2ngr s ASP 327 Cb -0.14 -1.35 1.16 0.00 -0.30 0.00 0.00 42.92 42.28 2ngr s ASP 327 CO -0.03 -0.15 1.56 0.49 -0.17 0.00 0.00 175.17 176.87 2ngr n PHE 328 N 4.60 0.00 0.10 -5.34 3.72 -1.26 -3.11 117.46 116.17 2ngr n PHE 328 Ca -0.15 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.03 2ngr n PHE 328 Cb 0.45 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.86 2ngr n PHE 328 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2ngr h ASP 329 N 0.00 0.86 -0.93 4.37 3.32 -1.97 -3.27 116.42 118.80 2ngr h ASP 329 Ca 0.00 -0.81 0.17 0.00 0.02 0.00 0.00 57.03 56.41 2ngr h ASP 329 Cb 0.00 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.20 2ngr h ASP 329 CO 0.00 1.62 0.60 -0.61 -1.72 0.00 0.00 179.24 179.12 2ngr h GLN 330 N 0.25 0.64 -5.96 3.56 4.15 -2.00 -3.39 115.11 112.37 2ngr h GLN 330 Ca -0.20 -0.04 -0.57 0.00 0.77 0.00 0.00 58.65 58.62 2ngr h GLN 330 Cb 1.96 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 29.44 2ngr h GLN 330 CO 0.24 0.42 0.14 0.71 -1.93 0.00 0.00 178.83 178.41 2ngr s TYR 331 N -5.67 3.52 -1.20 3.99 2.02 -1.23 -4.99 117.35 113.78 2ngr s TYR 331 Ca -0.10 1.20 -0.11 0.00 -0.37 0.00 0.00 57.07 57.69 2ngr s TYR 331 Cb 0.23 -2.83 0.20 0.00 -0.40 0.00 0.00 41.96 39.15 2ngr s TYR 331 CO 0.79 -0.00 1.50 0.09 -1.57 0.00 0.00 175.55 176.35 2ngr n ASN 332 N 4.21 5.34 -3.44 2.29 3.02 -1.26 -4.85 115.26 120.56 2ngr n ASN 332 Ca -0.00 -3.05 0.01 0.00 -0.03 0.00 0.00 54.58 51.50 2ngr n ASN 332 Cb 0.51 -1.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.14 2ngr n ASN 332 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2ngr s GLU 333 N 0.47 0.28 0.22 3.52 2.56 -1.26 -5.03 118.70 119.46 2ngr s GLU 333 Ca 0.39 0.65 0.26 0.00 0.00 0.00 0.00 54.97 56.26 2ngr s GLU 333 Cb -0.00 0.32 0.72 0.00 2.00 0.00 0.00 34.13 37.17 2ngr s GLU 333 CO -0.00 -0.09 1.71 -0.07 -0.56 0.00 0.00 175.26 176.25 2ngr h LEU 334 N 7.09 0.00 0.00 2.70 3.38 -1.95 -3.27 115.31 123.26 2ngr h LEU 334 Ca -0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2ngr h LEU 334 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2ngr h LEU 334 CO 0.11 0.01 -0.27 1.41 0.09 0.00 0.00 178.44 179.79 2ngr n HIS 335 N -2.31 0.78 0.22 1.13 8.25 -1.26 -4.06 115.22 117.97 2ngr n HIS 335 Ca 0.05 0.23 -0.15 0.00 -0.26 0.00 0.00 57.72 57.59 2ngr n HIS 335 Cb 0.44 -0.82 -0.08 0.00 1.12 0.00 0.00 29.99 30.64 2ngr n HIS 335 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2ngr h LEU 336 N 0.00 -0.44 -1.70 2.41 5.85 -1.92 0.15 115.31 119.66 2ngr h LEU 336 Ca 0.00 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2ngr h LEU 336 Cb 0.74 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2ngr h LEU 336 CO 0.00 -0.24 -0.18 1.55 -0.34 0.00 0.00 178.44 179.23 2ngr h PRO 337 N -0.63 0.00 -0.28 5.25 0.13 -1.81 -0.38 132.00 134.28 2ngr h PRO 337 Ca -0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 2ngr h PRO 337 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2ngr h PRO 337 CO 0.09 0.18 -0.23 0.00 -0.23 0.00 0.00 178.00 177.81 2ngr h ALA 338 N 1.82 0.41 -0.12 -0.56 0.00 -1.65 -1.54 119.26 117.61 2ngr h ALA 338 Ca -0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2ngr h ALA 338 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ngr h ALA 338 CO 0.02 0.37 -0.50 0.28 0.00 0.00 0.00 179.25 179.43 2ngr h VAL 339 N 0.39 1.34 -0.11 0.00 2.07 -0.48 -2.82 116.25 116.63 2ngr h VAL 339 Ca 0.05 -1.73 -0.18 0.00 0.82 0.00 0.00 66.70 65.67 2ngr h VAL 339 Cb 0.78 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2ngr h VAL 339 CO 0.06 0.52 -0.67 0.40 0.02 0.00 0.00 177.57 177.90 2ngr h ILE 340 N 0.26 1.36 0.26 4.57 1.08 -1.03 -2.23 117.51 121.78 2ngr h ILE 340 Ca 0.01 -2.02 -0.01 0.00 -0.39 0.00 0.00 64.86 62.45 2ngr h ILE 340 Cb 0.97 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 2ngr h ILE 340 CO 0.08 0.61 -0.12 0.25 -0.69 0.00 0.00 178.15 178.28 2ngr h LEU 341 N 0.32 -0.29 -0.91 1.44 6.46 -1.17 -2.01 115.31 119.14 2ngr h LEU 341 Ca -0.02 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2ngr h LEU 341 Cb 1.23 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.19 2ngr h LEU 341 CO 0.12 -0.15 0.54 0.11 -0.62 0.00 0.00 178.44 178.45 2ngr h LYS 342 N -0.42 1.25 -0.65 1.25 1.57 -1.51 -2.54 116.57 115.52 2ngr h LYS 342 Ca -0.04 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2ngr h LYS 342 Cb 0.32 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2ngr h LYS 342 CO 0.06 0.88 0.36 1.15 -0.57 0.00 0.00 179.45 181.32 2ngr h THR 343 N 1.26 1.19 -0.05 -0.16 2.02 -1.27 -1.79 112.91 114.12 2ngr h THR 343 Ca 0.33 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2ngr h THR 343 Cb -0.04 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2ngr h THR 343 CO -0.06 0.22 0.03 0.15 0.37 0.00 0.00 175.52 176.22 2ngr h PHE 344 N 0.90 0.07 -0.74 3.16 3.57 -0.93 -1.64 116.94 121.33 2ngr h PHE 344 Ca 0.23 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 2ngr h PHE 344 Cb 0.02 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2ngr h PHE 344 CO 0.01 0.12 0.31 -0.07 -2.23 0.00 0.00 178.31 176.45 2ngr h LEU 345 N -0.01 1.00 -1.13 0.59 3.38 -1.39 -2.88 115.31 114.88 2ngr h LEU 345 Ca 0.02 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2ngr h LEU 345 Cb 0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2ngr h LEU 345 CO -0.00 0.88 -0.34 -0.09 0.09 0.00 0.00 178.44 178.97 2ngr h ARG 346 N 1.07 0.16 -0.01 1.13 2.43 -1.12 -3.08 114.38 114.96 2ngr h ARG 346 Ca 0.25 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2ngr h ARG 346 Cb 0.19 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2ngr h ARG 346 CO -0.02 0.49 -0.11 0.39 -1.51 0.00 0.00 179.97 179.21 2ngr n GLU 347 N -4.09 1.03 -1.87 0.20 1.02 -0.64 -4.89 120.64 111.39 2ngr n GLU 347 Ca -0.01 -0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 56.22 2ngr n GLU 347 Cb 0.42 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 2ngr n GLU 347 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ngr s LEU 348 N -2.31 4.37 0.65 -4.62 1.43 -1.16 -3.57 118.68 113.47 2ngr s LEU 348 Ca 0.32 2.79 0.28 0.00 -1.03 0.00 0.00 54.13 56.49 2ngr s LEU 348 Cb 0.20 -3.62 1.53 0.00 0.03 0.00 0.00 46.19 44.34 2ngr s LEU 348 CO 0.44 -0.84 1.87 1.55 0.23 0.00 0.00 176.35 179.60 2ngr h PRO 349 N 5.50 0.00 -3.09 1.29 0.13 -1.86 -3.39 132.00 130.58 2ngr h PRO 349 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 2ngr h PRO 349 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 2ngr h PRO 349 CO 0.83 0.00 -0.47 -1.21 -0.23 0.00 0.00 178.00 176.92 2ngr s GLU 350 N -4.18 0.23 0.27 0.86 2.02 -1.26 -5.13 118.70 111.52 2ngr s GLU 350 Ca -0.03 0.44 -0.26 0.00 0.02 0.00 0.00 54.97 55.14 2ngr s GLU 350 Cb 0.09 -0.02 -0.16 0.00 0.10 0.00 0.00 34.13 34.14 2ngr s GLU 350 CO 0.30 -0.11 0.46 -2.30 0.02 0.00 0.00 175.26 173.63 2ngr n PRO 351 N 3.71 0.15 -0.04 0.39 -0.02 -1.26 -4.83 135.00 133.10 2ngr n PRO 351 Ca -0.20 0.05 0.09 0.00 -2.02 0.00 0.00 63.50 61.42 2ngr n PRO 351 Cb 0.55 -1.10 0.48 0.00 -0.02 0.00 0.00 33.50 33.41 2ngr n PRO 351 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ngr h LEU 352 N 0.90 0.39 0.00 2.45 5.85 -1.80 0.75 115.31 123.85 2ngr h LEU 352 Ca -0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2ngr h LEU 352 Cb 1.43 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2ngr h LEU 352 CO 0.54 0.26 -0.19 0.18 -0.34 0.00 0.00 178.44 178.89 2ngr n LEU 353 N -4.47 0.45 -0.72 2.25 4.77 -0.95 -4.87 117.00 113.46 2ngr n LEU 353 Ca 0.07 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2ngr n LEU 353 Cb 0.25 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2ngr n LEU 353 CO 0.34 -0.04 -0.22 0.35 -1.33 0.00 0.00 177.39 176.49 2ngr n THR 354 N -1.84 -1.60 0.29 -5.08 -2.24 0.25 -4.08 114.28 99.99 2ngr n THR 354 Ca 0.06 0.74 0.19 0.00 -2.27 0.00 0.00 64.05 62.77 2ngr n THR 354 Cb 0.38 -1.18 1.03 0.00 -2.10 0.00 0.00 70.33 68.46 2ngr n THR 354 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2ngr h PHE 355 N 0.19 0.00 0.00 4.78 0.04 -1.93 -2.28 116.94 117.74 2ngr h PHE 355 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2ngr h PHE 355 Cb 0.37 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 2ngr h PHE 355 CO 0.03 0.00 -0.13 -0.44 -0.60 0.00 0.00 178.31 177.17 2ngr h ASP 356 N 0.00 0.00 0.06 2.17 5.19 -1.98 -2.83 116.42 119.03 2ngr h ASP 356 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2ngr h ASP 356 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2ngr h ASP 356 CO 0.00 0.13 -0.07 0.18 -3.12 0.00 0.00 179.24 176.36 2ngr n LEU 357 N -3.22 1.36 -0.08 1.55 4.77 -0.86 -4.35 117.00 116.17 2ngr n LEU 357 Ca 0.01 -0.43 -0.06 0.00 -0.03 0.00 0.00 56.01 55.50 2ngr n LEU 357 Cb 0.43 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2ngr n LEU 357 CO 0.32 0.23 0.82 0.22 -1.33 0.00 0.00 177.39 177.65 2ngr h TYR 358 N 2.02 -0.13 -0.59 -1.77 5.03 -1.63 -1.27 116.97 118.63 2ngr h TYR 358 Ca 0.00 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.35 2ngr h TYR 358 Cb 0.50 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 2ngr h TYR 358 CO 0.00 -0.12 0.39 -1.35 -1.32 0.00 0.00 178.16 175.76 2ngr h PRO 359 N 0.02 0.76 -0.81 1.82 0.11 -1.81 -1.48 132.00 130.61 2ngr h PRO 359 Ca 0.15 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.26 2ngr h PRO 359 Cb 0.22 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 31.10 2ngr h PRO 359 CO -0.30 0.50 0.50 1.25 -0.21 0.00 0.00 178.00 179.74 2ngr h HIS 360 N 0.78 0.93 0.27 0.65 -0.00 -1.73 -1.70 115.15 114.34 2ngr h HIS 360 Ca 0.22 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.61 2ngr h HIS 360 Cb -0.06 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.05 2ngr h HIS 360 CO -0.04 0.49 -0.13 0.28 -0.00 0.00 0.00 177.93 178.53 2ngr h VAL 361 N 0.93 0.76 -0.00 5.26 2.07 -0.82 -1.97 116.25 122.49 2ngr h VAL 361 Ca 0.34 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2ngr h VAL 361 Cb 0.12 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2ngr h VAL 361 CO -0.15 0.12 -0.15 -0.37 0.02 0.00 0.00 177.57 177.04 2ngr h VAL 362 N -0.70 1.11 -0.48 2.57 -1.51 -1.19 -2.60 116.25 113.44 2ngr h VAL 362 Ca -0.04 -0.51 -0.13 0.00 -1.23 0.00 0.00 66.70 64.79 2ngr h VAL 362 Cb 0.48 1.28 -0.08 0.00 -2.13 0.00 0.00 31.29 30.84 2ngr h VAL 362 CO 0.06 0.15 0.10 0.61 -1.23 0.00 0.00 177.57 177.25 2ngr n GLY 363 N -1.11 4.07 0.11 5.19 0.00 -0.65 -4.68 105.19 108.13 2ngr n GLY 363 Ca -0.03 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2ngr n GLY 363 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ngr h PHE 364 N 2.00 0.06 0.00 1.61 3.57 -0.94 -2.63 116.94 120.61 2ngr h PHE 364 Ca 0.16 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2ngr h PHE 364 Cb 1.87 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.62 2ngr h PHE 364 CO 0.95 0.01 0.00 1.28 -2.23 0.00 0.00 178.31 178.32 2ngr n LEU 365 N -5.10 0.00 -0.14 0.59 7.99 -1.26 -1.58 117.00 117.50 2ngr n LEU 365 Ca -0.02 0.22 0.13 0.00 -0.01 0.00 0.00 56.01 56.32 2ngr n LEU 365 Cb 0.11 -0.22 0.32 0.00 -0.11 0.00 0.00 43.42 43.52 2ngr n LEU 365 CO 0.27 -0.13 0.57 0.59 -1.51 0.00 0.00 177.39 177.18 2ngr n ASN 366 N -1.22 0.81 -4.73 -1.43 3.02 -0.99 -4.82 115.26 105.90 2ngr n ASN 366 Ca 0.06 -0.63 -0.39 0.00 -0.03 0.00 0.00 54.58 53.60 2ngr n ASN 366 Cb 0.08 0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 2ngr n ASN 366 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2ngr s ILE 367 N -2.71 5.01 0.29 2.41 1.01 -0.61 -5.01 121.20 121.58 2ngr s ILE 367 Ca 0.19 1.34 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 2ngr s ILE 367 Cb 0.18 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.54 2ngr s ILE 367 CO 0.60 0.31 1.42 0.47 0.00 0.00 0.00 174.94 177.74 2ngr n ASP 368 N 3.43 3.09 -0.32 3.58 8.00 -1.26 -4.78 116.55 128.29 2ngr n ASP 368 Ca -0.04 1.17 0.19 0.00 0.71 0.00 0.00 54.79 56.82 2ngr n ASP 368 Cb 0.51 -1.50 0.38 0.00 -0.02 0.00 0.00 41.12 40.50 2ngr n ASP 368 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ngr h GLU 369 N 3.78 0.19 0.00 -1.24 4.22 -1.95 0.38 114.58 119.96 2ngr h GLU 369 Ca -0.46 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 58.95 2ngr h GLU 369 Cb 1.26 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2ngr h GLU 369 CO 0.72 0.13 -0.06 0.66 -2.18 0.00 0.00 179.01 178.28 2ngr h SER 370 N 0.20 0.00 -0.39 1.04 4.64 -2.04 -2.82 113.55 114.18 2ngr h SER 370 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2ngr h SER 370 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2ngr h SER 370 CO -0.69 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.33 2ngr n GLN 371 N -3.33 2.38 -0.10 4.77 1.13 0.13 -4.61 117.38 117.75 2ngr n GLN 371 Ca -0.01 -2.16 -0.13 0.00 -1.94 0.00 0.00 57.00 52.76 2ngr n GLN 371 Cb 0.22 -1.43 -0.04 0.00 0.11 0.00 0.00 30.24 29.11 2ngr n GLN 371 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ngr h ARG 372 N 3.62 0.74 0.38 -1.09 3.08 -1.20 -1.68 114.38 118.23 2ngr h ARG 372 Ca 0.00 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 2ngr h ARG 372 Cb 0.87 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2ngr h ARG 372 CO 0.00 1.00 -0.18 0.28 -1.07 0.00 0.00 179.97 180.00 2ngr h VAL 373 N 0.51 0.52 -0.00 2.04 2.07 -1.81 -2.32 116.25 117.26 2ngr h VAL 373 Ca 0.06 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2ngr h VAL 373 Cb 0.84 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2ngr h VAL 373 CO 0.07 0.09 -0.22 1.55 0.02 0.00 0.00 177.57 179.09 2ngr h PRO 374 N -0.89 0.00 -0.43 1.57 0.13 -1.86 -0.41 132.00 130.12 2ngr h PRO 374 Ca -0.05 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.00 2ngr h PRO 374 Cb 0.54 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2ngr h PRO 374 CO 0.08 0.22 -0.05 0.00 -0.23 0.00 0.00 178.00 178.02 2ngr h ALA 375 N 1.78 0.59 -0.14 -0.56 0.00 -1.33 -2.79 119.26 116.81 2ngr h ALA 375 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2ngr h ALA 375 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ngr h ALA 375 CO 0.03 0.42 -0.47 1.15 0.00 0.00 0.00 179.25 180.39 2ngr h THR 376 N 0.63 1.33 -0.81 0.00 2.02 -0.91 -2.84 112.91 112.34 2ngr h THR 376 Ca 0.12 -1.67 0.01 0.00 0.77 0.00 0.00 66.41 65.64 2ngr h THR 376 Cb 0.57 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 2ngr h THR 376 CO 0.03 0.50 0.53 -0.07 0.37 0.00 0.00 175.52 176.89 2ngr h LEU 377 N 0.28 0.92 -0.94 2.58 3.38 -0.93 -1.28 115.31 119.32 2ngr h LEU 377 Ca 0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2ngr h LEU 377 Cb 0.93 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2ngr h LEU 377 CO 0.08 0.66 -0.46 -0.61 0.09 0.00 0.00 178.44 178.20 2ngr h GLN 378 N 1.09 0.00 -0.11 1.13 4.15 -1.41 -3.09 115.11 116.86 2ngr h GLN 378 Ca 0.30 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.61 2ngr h GLN 378 Cb -0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2ngr h GLN 378 CO -0.07 0.46 -0.35 0.28 -1.93 0.00 0.00 178.83 177.22 2ngr h VAL 379 N 0.00 1.38 0.00 2.39 2.07 -1.12 -3.14 116.25 117.83 2ngr h VAL 379 Ca -0.00 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 2ngr h VAL 379 Cb 0.92 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2ngr h VAL 379 CO 0.06 0.49 -0.05 -0.07 0.02 0.00 0.00 177.57 178.03 2ngr h LEU 380 N 0.01 0.00 -1.61 2.57 3.38 -1.25 -1.81 115.31 116.61 2ngr h LEU 380 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2ngr h LEU 380 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2ngr h LEU 380 CO 0.07 0.05 -0.05 1.56 0.09 0.00 0.00 178.44 180.16 2ngr h GLN 381 N 0.00 0.00 -0.00 1.13 1.08 -1.48 -2.60 115.11 113.24 2ngr h GLN 381 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ngr h GLN 381 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2ngr h GLN 381 CO 0.01 0.05 -0.35 0.25 -0.95 0.00 0.00 178.83 177.83 2ngr n THR 382 N -3.19 0.00 -2.32 -0.54 -2.24 -0.68 -4.91 114.28 100.41 2ngr n THR 382 Ca -0.00 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 2ngr n THR 382 Cb 0.30 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 2ngr n THR 382 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ngr s LEU 383 N -2.93 4.10 0.43 3.22 1.43 -0.98 -4.99 118.68 118.97 2ngr s LEU 383 Ca 0.14 2.28 -0.26 0.00 -1.03 0.00 0.00 54.13 55.26 2ngr s LEU 383 Cb 0.18 -4.14 -0.08 0.00 0.03 0.00 0.00 46.19 42.17 2ngr s LEU 383 CO 0.64 -0.75 1.37 -2.84 0.23 0.00 0.00 176.35 174.99 2ngr s PRO 384 N -2.51 3.81 0.30 1.29 0.02 -1.26 -4.76 135.00 131.89 2ngr s PRO 384 Ca 0.60 2.29 0.06 0.00 0.02 0.00 0.00 61.00 63.97 2ngr s PRO 384 Cb -0.28 -2.70 0.78 0.00 0.02 0.00 0.00 34.50 32.32 2ngr s PRO 384 CO 0.35 -0.67 1.70 1.49 -0.33 0.00 0.00 177.00 179.55 2ngr h GLU 385 N 2.48 0.44 -0.18 5.54 4.57 -1.96 -1.05 114.58 124.41 2ngr h GLU 385 Ca -0.50 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 57.54 2ngr h GLU 385 Cb 1.26 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2ngr h GLU 385 CO 0.62 0.29 -0.36 1.05 -1.18 0.00 0.00 179.01 179.43 2ngr h GLU 386 N 0.45 0.39 -0.24 1.92 9.09 -1.91 -1.37 114.58 122.91 2ngr h GLU 386 Ca 0.59 -0.17 -0.13 0.00 0.05 0.00 0.00 59.36 59.69 2ngr h GLU 386 Cb 1.12 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.20 2ngr h GLU 386 CO -0.51 0.69 -0.41 -0.91 0.05 0.00 0.00 179.01 177.92 2ngr h ASN 387 N 0.33 0.61 -0.08 3.06 4.21 -1.58 -2.17 115.58 119.97 2ngr h ASN 387 Ca 0.04 -0.28 -0.02 0.00 1.21 0.00 0.00 56.30 57.25 2ngr h ASN 387 Cb 0.78 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 2ngr h ASN 387 CO 0.06 0.95 -0.03 0.22 -1.29 0.00 0.00 177.43 177.34 2ngr h TYR 388 N 0.48 0.18 -0.63 1.19 5.03 -0.99 -2.33 116.97 119.91 2ngr h TYR 388 Ca 0.04 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 2ngr h TYR 388 Cb 0.91 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.12 2ngr h TYR 388 CO 0.04 0.52 0.24 1.96 -1.32 0.00 0.00 178.16 179.60 2ngr h GLN 389 N -0.21 0.94 -0.75 1.82 1.08 -1.25 -0.03 115.11 116.71 2ngr h GLN 389 Ca 0.02 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 2ngr h GLN 389 Cb 0.47 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 2ngr h GLN 389 CO 0.01 0.80 0.29 0.28 -0.95 0.00 0.00 178.83 179.26 2ngr h VAL 390 N 0.88 1.25 -0.37 -0.54 2.07 -1.42 0.00 116.25 118.12 2ngr h VAL 390 Ca 0.21 -0.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 2ngr h VAL 390 Cb 0.22 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2ngr h VAL 390 CO -0.02 0.33 -0.27 0.25 0.02 0.00 0.00 177.57 177.88 2ngr h LEU 391 N 1.09 0.89 -0.51 2.57 5.85 -1.17 0.31 115.31 124.34 2ngr h LEU 391 Ca 0.25 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2ngr h LEU 391 Cb 0.22 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2ngr h LEU 391 CO -0.02 1.14 0.24 -0.09 -0.34 0.00 0.00 178.44 179.37 2ngr h ARG 392 N 0.64 0.73 0.31 1.25 2.43 -0.75 -1.31 114.38 117.68 2ngr h ARG 392 Ca 0.07 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2ngr h ARG 392 Cb 0.85 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2ngr h ARG 392 CO 0.07 0.61 -0.15 0.35 -1.51 0.00 0.00 179.97 179.35 2ngr h PHE 393 N 0.68 -0.38 0.60 2.20 3.57 -0.87 -2.46 116.94 120.27 2ngr h PHE 393 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2ngr h PHE 393 Cb 0.12 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2ngr h PHE 393 CO -0.01 -0.14 -0.41 1.25 -2.23 0.00 0.00 178.31 176.77 2ngr h LEU 394 N -0.56 -1.06 -1.41 0.59 5.85 -0.87 -2.45 115.31 115.39 2ngr h LEU 394 Ca -0.04 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.84 2ngr h LEU 394 Cb 0.41 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2ngr h LEU 394 CO 0.07 -0.62 0.50 0.71 -0.34 0.00 0.00 178.44 178.76 2ngr h THR 395 N -0.97 0.93 -0.48 1.05 1.35 -1.31 0.02 112.91 113.49 2ngr h THR 395 Ca -0.07 -0.22 -0.06 0.00 -0.55 0.00 0.00 66.41 65.51 2ngr h THR 395 Cb 0.80 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 2ngr h THR 395 CO 0.04 0.12 0.07 0.00 -0.25 0.00 0.00 175.52 175.50 2ngr h ALA 396 N 1.62 1.21 -0.13 6.62 0.00 -1.27 -2.01 119.26 125.31 2ngr h ALA 396 Ca 0.35 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 2ngr h ALA 396 Cb 0.48 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2ngr h ALA 396 CO -0.13 0.53 -0.82 0.35 0.00 0.00 0.00 179.25 179.18 2ngr h PHE 397 N 0.72 1.08 -0.46 0.00 3.57 -0.58 -3.25 116.94 118.02 2ngr h PHE 397 Ca 0.15 -0.49 -0.07 0.00 3.53 0.00 0.00 57.97 61.09 2ngr h PHE 397 Cb 0.34 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2ngr h PHE 397 CO 0.02 1.33 0.01 -0.07 -2.23 0.00 0.00 178.31 177.37 2ngr h LEU 398 N 0.52 0.72 -1.59 0.59 3.38 -0.82 -1.62 115.31 116.48 2ngr h LEU 398 Ca -0.07 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2ngr h LEU 398 Cb 1.46 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2ngr h LEU 398 CO 0.17 0.78 0.00 -0.37 0.09 0.00 0.00 178.44 179.11 2ngr h VAL 399 N 0.71 0.00 0.04 1.22 -1.51 -1.42 -0.93 116.25 114.36 2ngr h VAL 399 Ca 0.14 -0.30 -0.27 0.00 -1.23 0.00 0.00 66.70 65.04 2ngr h VAL 399 Cb 0.42 1.19 0.02 0.00 -2.13 0.00 0.00 31.29 30.80 2ngr h VAL 399 CO 0.02 0.00 -1.09 1.56 -1.23 0.00 0.00 177.57 176.82 2ngr h GLN 400 N 0.00 0.66 -0.51 5.19 4.20 -1.34 -2.71 115.11 120.60 2ngr h GLN 400 Ca 0.00 -0.77 -0.03 0.00 0.06 0.00 0.00 58.65 57.91 2ngr h GLN 400 Cb 0.33 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2ngr h GLN 400 CO 0.00 1.34 0.21 0.82 -0.67 0.00 0.00 178.83 180.53 2ngr h ILE 401 N 0.32 1.21 0.00 2.54 1.08 -0.82 -2.96 117.51 118.88 2ngr h ILE 401 Ca -0.15 -0.64 -0.08 0.00 -0.39 0.00 0.00 64.86 63.60 2ngr h ILE 401 Cb 1.76 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 2ngr h ILE 401 CO 0.21 0.24 -0.38 0.77 -0.69 0.00 0.00 178.15 178.30 2ngr h SER 402 N 0.68 0.00 -0.02 1.72 4.64 -1.33 -2.60 113.55 116.65 2ngr h SER 402 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2ngr h SER 402 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2ngr h SER 402 CO -0.02 0.38 0.02 0.00 -0.87 0.00 0.00 176.83 176.35 2ngr h ALA 403 N 1.62 1.44 -0.49 5.18 0.00 -1.30 0.16 119.26 125.88 2ngr h ALA 403 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2ngr h ALA 403 Cb 0.74 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 2ngr h ALA 403 CO 0.05 -0.03 0.10 0.72 0.00 0.00 0.00 179.25 180.09 2ngr n HIS 404 N -3.68 1.62 0.34 0.00 -0.00 -0.98 -4.69 115.22 107.83 2ngr n HIS 404 Ca -0.03 -1.22 0.23 0.00 -0.00 0.00 0.00 57.72 56.70 2ngr n HIS 404 Cb 0.10 -0.52 1.21 0.00 -0.00 0.00 0.00 29.99 30.78 2ngr n HIS 404 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2ngr h SER 405 N 1.89 0.00 0.75 0.41 4.64 -0.68 -1.40 113.55 119.16 2ngr h SER 405 Ca 0.18 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2ngr h SER 405 Cb 1.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 2ngr h SER 405 CO 0.49 0.00 -0.25 0.44 -0.87 0.00 0.00 176.83 176.63 2ngr h ASP 406 N 0.00 0.00 0.00 4.97 3.32 -1.83 0.18 116.42 123.06 2ngr h ASP 406 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 2ngr h ASP 406 Cb 0.03 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 2ngr h ASP 406 CO -0.00 0.25 -2.37 0.00 -1.72 0.00 0.00 179.24 175.40 2ngr n GLN 407 N -3.52 0.56 0.13 3.56 3.00 -0.62 -4.63 117.38 115.86 2ngr n GLN 407 Ca -0.01 0.19 0.12 0.00 -0.01 0.00 0.00 57.00 57.29 2ngr n GLN 407 Cb 0.41 -1.43 0.17 0.00 0.00 0.00 0.00 30.24 29.38 2ngr n GLN 407 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.06 174.11 2ngr h ASN 408 N -0.45 0.00 0.00 1.08 7.08 -1.39 -3.39 115.58 118.52 2ngr h ASN 408 Ca -0.58 -0.05 0.00 0.00 -3.08 0.00 0.00 56.30 52.59 2ngr h ASN 408 Cb 1.69 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.93 2ngr h ASN 408 CO -0.23 0.02 0.00 0.29 -2.08 0.00 0.00 177.43 175.43 2ngr n LYS 409 N -2.62 -0.06 -3.21 4.14 4.76 0.64 0.52 118.16 122.32 2ngr n LYS 409 Ca 0.03 0.02 -0.46 0.00 -2.87 0.00 0.00 58.31 55.03 2ngr n LYS 409 Cb 0.50 -2.91 -0.02 0.00 -1.84 0.00 0.00 35.03 30.76 2ngr n LYS 409 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2ngr s MET 410 N -0.19 3.67 1.00 1.97 -1.94 -1.25 -4.92 119.30 117.65 2ngr s MET 410 Ca 0.00 -2.34 -0.16 0.00 -1.71 0.00 0.00 55.69 51.48 2ngr s MET 410 Cb 0.00 -4.59 0.20 0.00 2.01 0.00 0.00 34.83 32.45 2ngr s MET 410 CO 0.00 -1.43 1.22 0.95 -0.01 0.00 0.00 175.02 175.74 2ngr s THR 411 N 0.77 1.89 0.38 2.05 -4.23 -1.26 -3.92 115.64 111.32 2ngr s THR 411 Ca 0.24 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.80 2ngr s THR 411 Cb -0.08 -2.81 0.23 0.00 1.34 0.00 0.00 72.50 71.18 2ngr s THR 411 CO -0.09 0.00 2.00 0.78 -0.54 0.00 0.00 174.62 176.77 2ngr h ASN 412 N -1.81 0.53 -0.25 3.99 2.35 -1.96 -1.09 115.58 117.35 2ngr h ASN 412 Ca -0.46 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.23 2ngr h ASN 412 Cb 1.28 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2ngr h ASN 412 CO 0.44 0.45 0.07 0.74 -1.65 0.00 0.00 177.43 177.47 2ngr h THR 413 N 0.61 1.21 -0.13 2.81 2.02 -1.93 -1.41 112.91 116.09 2ngr h THR 413 Ca 0.16 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 2ngr h THR 413 Cb 0.04 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2ngr h THR 413 CO -0.02 0.22 -0.37 0.78 0.37 0.00 0.00 175.52 176.49 2ngr h ASN 414 N 0.23 0.28 -0.12 4.18 4.21 -1.77 -2.77 115.58 119.83 2ngr h ASN 414 Ca 0.08 -0.11 -0.22 0.00 1.21 0.00 0.00 56.30 57.26 2ngr h ASN 414 Cb 0.27 -0.08 0.01 0.00 -1.12 0.00 0.00 38.32 37.40 2ngr h ASN 414 CO -0.00 0.64 -0.77 -0.07 -1.29 0.00 0.00 177.43 175.94 2ngr h LEU 415 N 0.23 0.91 -1.24 1.61 3.38 -1.11 -3.21 115.31 115.88 2ngr h LEU 415 Ca 0.03 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 2ngr h LEU 415 Cb 0.77 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2ngr h LEU 415 CO 0.06 1.39 0.44 0.00 0.09 0.00 0.00 178.44 180.42 2ngr h ALA 416 N 0.60 1.44 0.23 1.53 0.00 -1.15 -0.10 119.26 121.80 2ngr h ALA 416 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ngr h ALA 416 Cb 1.39 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ngr h ALA 416 CO 0.16 0.50 -0.11 0.28 0.00 0.00 0.00 179.25 180.08 2ngr h VAL 417 N 0.98 0.78 0.00 0.00 2.07 -1.49 0.73 116.25 119.32 2ngr h VAL 417 Ca 0.26 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 2ngr h VAL 417 Cb -0.06 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2ngr h VAL 417 CO -0.05 0.00 -0.16 -0.37 0.02 0.00 0.00 177.57 177.01 2ngr h VAL 418 N -0.31 0.29 0.04 2.57 -1.51 -1.52 -3.35 116.25 112.46 2ngr h VAL 418 Ca -0.03 -1.33 -0.34 0.00 -1.23 0.00 0.00 66.70 63.76 2ngr h VAL 418 Cb 0.24 2.08 -0.05 0.00 -2.13 0.00 0.00 31.29 31.42 2ngr h VAL 418 CO 0.05 0.16 -2.05 0.49 -1.23 0.00 0.00 177.57 174.99 2ngr n PHE 419 N -3.15 0.71 -0.33 5.19 3.01 -0.07 -4.63 117.46 118.19 2ngr n PHE 419 Ca 0.03 0.20 -0.09 0.00 1.01 0.00 0.00 57.45 58.61 2ngr n PHE 419 Cb 0.57 -1.11 -0.08 0.00 -0.01 0.00 0.00 39.48 38.85 2ngr n PHE 419 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ngr n GLY 420 N 1.83 -2.23 0.03 1.37 0.00 0.24 -0.51 105.19 105.92 2ngr n GLY 420 Ca -0.29 0.97 0.05 0.00 0.00 0.00 0.00 46.02 46.75 2ngr n GLY 420 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ngr n PRO 421 N -4.91 0.04 0.03 1.61 -0.04 -1.26 -1.92 135.00 128.54 2ngr n PRO 421 Ca 0.02 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 2ngr n PRO 421 Cb 0.21 -1.59 0.12 0.00 -0.04 0.00 0.00 33.50 32.19 2ngr n PRO 421 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ngr n ASN 422 N -1.66 0.63 -0.01 3.54 3.02 0.33 -4.20 115.26 116.91 2ngr n ASN 422 Ca 0.01 -0.10 0.11 0.00 -0.03 0.00 0.00 54.58 54.57 2ngr n ASN 422 Cb 0.08 0.46 -0.16 0.00 -0.61 0.00 0.00 39.78 39.56 2ngr n ASN 422 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ngr n LEU 423 N -1.94 0.19 -3.61 3.41 4.77 -0.81 -4.24 117.00 114.78 2ngr n LEU 423 Ca 0.03 -0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 2ngr n LEU 423 Cb 0.42 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2ngr n LEU 423 CO 0.38 0.04 0.65 -0.22 -1.33 0.00 0.00 177.39 176.91 2ngr s LEU 424 N -4.28 -0.51 0.29 2.23 2.96 -1.19 -2.23 118.68 115.96 2ngr s LEU 424 Ca -0.05 0.85 -0.16 0.00 -0.22 0.00 0.00 54.13 54.55 2ngr s LEU 424 Cb 0.14 2.06 0.02 0.00 0.50 0.00 0.00 46.19 48.91 2ngr s LEU 424 CO 0.90 -0.27 0.64 -1.66 -1.32 0.00 0.00 176.35 174.64 2ngr s TRP 425 N -0.22 0.14 0.42 5.38 -2.14 -1.26 -4.53 118.94 116.73 2ngr s TRP 425 Ca -0.00 -0.59 0.08 0.00 2.66 0.00 0.00 56.10 58.24 2ngr s TRP 425 Cb -0.03 0.51 -0.01 0.00 -3.10 0.00 0.00 33.47 30.84 2ngr s TRP 425 CO -0.01 -1.22 0.43 0.00 -2.66 0.00 0.00 176.95 173.49 2ngr s ALA 426 N -3.58 4.18 0.30 2.67 0.00 -1.26 -4.95 121.76 119.12 2ngr s ALA 426 Ca 0.17 -1.83 0.37 0.00 0.00 0.00 0.00 51.96 50.67 2ngr s ALA 426 Cb -0.04 -1.14 1.81 0.00 0.00 0.00 0.00 23.12 23.75 2ngr s ALA 426 CO 0.10 -0.25 2.12 0.87 0.00 0.00 0.00 175.76 178.59 2ngr h LYS 427 N 0.93 0.00 -5.31 0.00 1.79 -2.02 -3.43 116.57 108.52 2ngr h LYS 427 Ca -0.41 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.61 2ngr h LYS 427 Cb 1.27 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.66 2ngr h LYS 427 CO 0.55 0.00 -0.80 0.34 -1.08 0.00 0.00 179.45 178.46 2ngr s ASP 428 N -5.28 1.66 0.21 0.86 2.15 -1.26 -5.05 116.67 109.97 2ngr s ASP 428 Ca -0.02 -0.42 -0.09 0.00 0.43 0.00 0.00 52.55 52.46 2ngr s ASP 428 Cb 0.11 -0.12 0.24 0.00 -0.30 0.00 0.00 42.92 42.85 2ngr s ASP 428 CO 0.46 0.06 1.82 0.00 -0.17 0.00 0.00 175.17 177.34 2ngr h ALA 429 N 5.10 0.93 -0.53 3.66 0.00 -2.00 -1.85 119.26 124.58 2ngr h ALA 429 Ca -0.37 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2ngr h ALA 429 Cb 1.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2ngr h ALA 429 CO 0.45 0.10 0.31 0.00 0.00 0.00 0.00 179.25 180.11 2ngr h ALA 430 N 1.35 0.67 -0.75 0.00 0.00 -1.97 -0.56 119.26 118.00 2ngr h ALA 430 Ca 0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2ngr h ALA 430 Cb 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2ngr h ALA 430 CO -0.17 0.02 0.25 0.82 0.00 0.00 0.00 179.25 180.17 2ngr h ILE 431 N 0.62 1.26 -0.37 0.00 2.04 -1.88 -2.95 117.51 116.23 2ngr h ILE 431 Ca 0.21 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 2ngr h ILE 431 Cb 0.02 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2ngr h ILE 431 CO -0.10 0.35 0.14 0.74 0.00 0.00 0.00 178.15 179.29 2ngr h THR 432 N 1.10 1.20 -0.89 -0.27 2.02 -0.75 -2.95 112.91 112.37 2ngr h THR 432 Ca 0.24 -0.61 0.10 0.00 0.77 0.00 0.00 66.41 66.91 2ngr h THR 432 Cb 0.28 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2ngr h THR 432 CO -0.01 0.22 0.58 0.25 0.37 0.00 0.00 175.52 176.92 2ngr h LEU 433 N 0.46 0.80 -1.16 2.58 5.85 -0.95 0.23 115.31 123.12 2ngr h LEU 433 Ca 0.12 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2ngr h LEU 433 Cb 0.20 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2ngr h LEU 433 CO -0.01 0.47 -0.39 0.11 -0.34 0.00 0.00 178.44 178.28 2ngr h LYS 434 N 0.88 0.06 -0.40 1.25 1.57 -1.40 -2.82 116.57 115.71 2ngr h LYS 434 Ca 0.41 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2ngr h LYS 434 Cb 0.41 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2ngr h LYS 434 CO -0.18 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 2ngr n ALA 435 N -2.47 2.41 -0.10 3.86 0.00 -0.10 -4.54 120.51 119.57 2ngr n ALA 435 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 53.44 52.42 2ngr n ALA 435 Cb 0.43 -0.83 0.31 0.00 0.00 0.00 0.00 19.45 19.37 2ngr n ALA 435 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2ngr h ILE 436 N 4.26 1.16 -0.16 0.00 6.09 -0.37 -0.46 117.51 128.03 2ngr h ILE 436 Ca 0.00 -0.39 -0.08 0.00 -1.37 0.00 0.00 64.86 63.02 2ngr h ILE 436 Cb 0.96 0.42 -0.00 0.00 0.47 0.00 0.00 36.82 38.66 2ngr h ILE 436 CO 0.00 0.18 -0.20 0.78 -3.07 0.00 0.00 178.15 175.83 2ngr h ASN 437 N 0.75 0.45 -0.14 2.19 4.21 -1.80 -2.49 115.58 118.75 2ngr h ASN 437 Ca 0.20 -0.51 -0.04 0.00 1.21 0.00 0.00 56.30 57.16 2ngr h ASN 437 Cb 0.00 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 2ngr h ASN 437 CO -0.03 0.87 -0.00 -0.65 -1.29 0.00 0.00 177.43 176.32 2ngr h PRO 438 N 0.04 0.37 -0.28 0.81 0.11 -1.78 -2.13 132.00 129.14 2ngr h PRO 438 Ca 0.02 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2ngr h PRO 438 Cb 0.76 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2ngr h PRO 438 CO 0.05 0.40 0.02 0.82 -0.21 0.00 0.00 178.00 179.08 2ngr h ILE 439 N 0.36 1.25 0.00 4.15 2.04 -1.03 -2.41 117.51 121.87 2ngr h ILE 439 Ca 0.08 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 64.98 2ngr h ILE 439 Cb 0.25 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2ngr h ILE 439 CO 0.01 0.28 -0.44 0.78 0.00 0.00 0.00 178.15 178.78 2ngr h ASN 440 N 0.28 0.00 -0.26 1.72 2.35 -1.25 -2.44 115.58 115.98 2ngr h ASN 440 Ca 0.08 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.66 2ngr h ASN 440 Cb 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2ngr h ASN 440 CO 0.01 0.44 -0.47 0.74 -1.65 0.00 0.00 177.43 176.50 2ngr h THR 441 N 0.00 1.28 -0.10 2.81 2.02 -1.32 -1.69 112.91 115.91 2ngr h THR 441 Ca -0.00 -1.66 -0.14 0.00 0.77 0.00 0.00 66.41 65.38 2ngr h THR 441 Cb 0.89 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2ngr h THR 441 CO 0.06 0.54 -0.55 0.15 0.37 0.00 0.00 175.52 176.09 2ngr h PHE 442 N 0.66 0.38 -0.27 3.16 3.57 -1.30 -1.74 116.94 121.39 2ngr h PHE 442 Ca 0.03 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.34 2ngr h PHE 442 Cb 1.06 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2ngr h PHE 442 CO 0.06 0.79 -0.04 1.15 -2.23 0.00 0.00 178.31 178.04 2ngr h THR 443 N 0.24 1.27 -0.30 4.41 2.02 -1.32 -1.99 112.91 117.23 2ngr h THR 443 Ca 0.00 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 2ngr h THR 443 Cb 1.05 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 2ngr h THR 443 CO 0.09 0.33 0.04 0.50 0.37 0.00 0.00 175.52 176.85 2ngr h LYS 444 N 0.27 0.45 -0.01 6.66 3.64 -1.23 -1.70 116.57 124.65 2ngr h LYS 444 Ca 0.07 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2ngr h LYS 444 Cb 0.50 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2ngr h LYS 444 CO 0.02 0.44 -0.45 0.35 -2.27 0.00 0.00 179.45 177.55 2ngr h PHE 445 N 0.44 0.01 -0.23 1.91 3.57 -1.06 0.03 116.94 121.61 2ngr h PHE 445 Ca 0.10 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.44 2ngr h PHE 445 Cb 0.23 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2ngr h PHE 445 CO 0.01 0.46 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.99 2ngr h LEU 446 N 0.01 0.69 0.08 0.59 3.38 -0.56 -2.61 115.31 116.89 2ngr h LEU 446 Ca -0.00 -0.34 -0.19 0.00 0.09 0.00 0.00 57.88 57.43 2ngr h LEU 446 Cb 0.80 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.37 2ngr h LEU 446 CO 0.06 1.06 -0.80 -0.07 0.09 0.00 0.00 178.44 178.78 2ngr h LEU 447 N 0.50 0.57 -1.58 1.67 3.38 -1.24 -2.25 115.31 116.35 2ngr h LEU 447 Ca 0.02 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.12 2ngr h LEU 447 Cb 1.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2ngr h LEU 447 CO 0.10 1.36 -0.09 0.44 0.09 0.00 0.00 178.44 180.34 2ngr h ASP 448 N -0.13 0.14 -0.02 -0.43 3.32 -1.04 -3.10 116.42 115.16 2ngr h ASP 448 Ca -0.12 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2ngr h ASP 448 Cb 1.55 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 2ngr h ASP 448 CO 0.15 0.26 -0.34 1.41 -1.72 0.00 0.00 179.24 179.00 2ngr n HIS 449 N -4.35 0.06 -0.25 4.55 8.25 -0.98 -4.86 115.22 117.64 2ngr n HIS 449 Ca -0.01 -1.36 0.06 0.00 -0.26 0.00 0.00 57.72 56.15 2ngr n HIS 449 Cb 0.21 -0.23 0.18 0.00 1.12 0.00 0.00 29.99 31.27 2ngr n HIS 449 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2ngr h GLN 450 N 0.73 0.19 0.00 -0.41 -0.00 -1.32 -0.24 115.11 114.05 2ngr h GLN 450 Ca 0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 2ngr h GLN 450 Cb 1.03 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.47 2ngr h GLN 450 CO 0.02 0.12 -0.19 0.78 0.00 0.00 0.00 178.83 179.56 2ngr h GLY 451 N 0.19 0.00 1.17 2.39 0.00 -1.88 -0.08 103.07 104.86 2ngr h GLY 451 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 2ngr h GLY 451 CO -0.58 0.00 -0.92 0.83 0.00 0.00 0.00 176.54 175.87 2ngr h GLU 452 N 0.00 0.00 0.02 4.80 5.08 -1.47 -3.38 114.58 119.62 2ngr h GLU 452 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2ngr h GLU 452 Cb 0.50 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2ngr h GLU 452 CO 0.03 0.07 -2.23 1.28 -1.00 0.00 0.00 179.01 177.15 2ngr n LEU 453 N -2.79 1.41 -4.26 1.33 4.77 -0.63 -4.96 117.00 111.87 2ngr n LEU 453 Ca -0.01 0.07 -0.32 0.00 -0.03 0.00 0.00 56.01 55.72 2ngr n LEU 453 Cb 0.61 -0.20 -0.17 0.00 -2.33 0.00 0.00 43.42 41.33 2ngr n LEU 453 CO 0.40 0.66 -0.56 -0.36 -1.33 0.00 0.00 177.39 176.19 2ngr s PHE 454 N -2.53 2.46 -2.00 -1.77 0.08 -0.07 -4.99 117.98 109.16 2ngr s PHE 454 Ca -0.18 -0.80 0.16 0.00 0.12 0.00 0.00 56.93 56.23 2ngr s PHE 454 Cb 0.07 -1.62 0.96 0.00 -0.57 0.00 0.00 43.02 41.86 2ngr s PHE 454 CO 0.75 -0.26 1.37 -0.35 -0.10 0.00 0.00 175.22 176.63