#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkp h ASP 315 N 0.00 0.06 1.34 1.96 3.32 -2.06 -2.16 116.42 118.88 2qkp h ASP 315 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qkp h ASP 315 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2qkp h ASP 315 CO 0.00 0.38 -0.27 0.03 -1.72 0.00 0.00 179.24 177.66 2qkp h ARG 316 N 0.06 0.00 0.00 3.56 3.08 -2.00 -3.32 114.38 115.75 2qkp h ARG 316 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2qkp h ARG 316 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2qkp h ARG 316 CO 0.04 0.00 -0.90 0.25 -1.07 0.00 0.00 179.97 178.29 2qkp n THR 317 N -2.39 0.00 -2.18 2.04 -2.24 -1.04 -1.18 114.28 107.30 2qkp n THR 317 Ca 0.04 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2qkp n THR 317 Cb 0.46 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 2qkp n THR 317 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qkp s THR 318 N -2.60 3.16 0.12 4.28 2.01 -0.84 -4.74 115.64 117.04 2qkp s THR 318 Ca 0.04 0.92 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 2qkp s THR 318 Cb 0.12 -3.59 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 2qkp s THR 318 CO 0.66 0.12 1.29 -1.10 -0.69 0.00 0.00 174.62 174.89 2qkp s GLN 319 N 0.20 4.39 0.09 4.92 -1.52 -1.26 -4.16 119.66 122.32 2qkp s GLN 319 Ca 0.59 1.95 0.05 0.00 -1.95 0.00 0.00 55.36 56.00 2qkp s GLN 319 Cb -0.37 -3.27 -0.03 0.00 -0.22 0.00 0.00 33.01 29.12 2qkp s GLN 319 CO 0.36 -0.29 -0.14 -0.65 -0.25 0.00 0.00 175.29 174.32 2qkp s GLN 320 N 0.66 0.91 0.19 2.91 -0.21 -0.19 -4.93 119.66 119.00 2qkp s GLN 320 Ca 0.60 -1.08 -0.32 0.00 0.02 0.00 0.00 55.36 54.58 2qkp s GLN 320 Cb -0.34 -0.87 -0.12 0.00 1.00 0.00 0.00 33.01 32.69 2qkp s GLN 320 CO 0.32 0.18 1.72 -2.30 -2.12 0.00 0.00 175.29 173.10 2qkp n PRO 321 N 0.97 2.71 -3.78 2.91 -0.02 -1.26 -1.29 135.00 135.23 2qkp n PRO 321 Ca -0.19 0.98 -0.14 0.00 -2.02 0.00 0.00 63.50 62.13 2qkp n PRO 321 Cb 0.55 -2.82 -0.15 0.00 -0.02 0.00 0.00 33.50 31.06 2qkp n PRO 321 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qkp s PHE 322 N 1.33 -0.03 0.00 6.00 0.08 -0.88 -4.83 117.98 119.65 2qkp s PHE 322 Ca 0.76 0.21 0.00 0.00 0.12 0.00 0.00 56.93 58.02 2qkp s PHE 322 Cb -0.52 -0.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.78 2qkp s PHE 322 CO 0.33 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.77 2qkp n GLY 323 N 3.93 3.22 1.29 4.36 0.00 -1.26 -1.77 105.19 114.96 2qkp n GLY 323 Ca -0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.87 2qkp n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qkp n ASN 324 N 3.80 3.78 0.00 1.61 3.02 -1.26 -4.94 115.26 121.27 2qkp n ASN 324 Ca 0.00 -2.20 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 2qkp n ASN 324 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2qkp n ASN 324 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qkp n GLY 325 N 1.26 3.75 2.98 7.41 0.00 -0.73 -5.19 105.19 114.68 2qkp n GLY 325 Ca 0.22 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 2qkp n GLY 325 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qkp s TYR 326 N 2.36 0.17 0.03 1.61 1.51 -1.25 -2.06 117.35 119.71 2qkp s TYR 326 Ca 0.00 -0.34 -0.13 0.00 -1.01 0.00 0.00 57.07 55.59 2qkp s TYR 326 Cb 0.00 -0.13 0.02 0.00 -0.11 0.00 0.00 41.96 41.74 2qkp s TYR 326 CO 0.00 -0.17 0.27 -0.51 -1.11 0.00 0.00 175.55 174.03 2qkp s LEU 327 N -1.14 1.02 0.59 -1.29 1.43 -0.41 -4.84 118.68 114.05 2qkp s LEU 327 Ca -0.12 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2qkp s LEU 327 Cb -0.08 1.20 0.01 0.00 0.03 0.00 0.00 46.19 47.35 2qkp s LEU 327 CO -0.00 -0.55 0.91 -0.94 0.23 0.00 0.00 176.35 176.00 2qkp s SER 328 N -1.86 5.64 0.27 2.29 1.04 -1.26 -1.02 113.70 118.79 2qkp s SER 328 Ca -0.08 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.12 2qkp s SER 328 Cb -0.02 -1.78 0.44 0.00 0.10 0.00 0.00 66.02 64.76 2qkp s SER 328 CO -0.01 -1.05 1.86 0.58 0.98 0.00 0.00 173.24 175.60 2qkp h VAL 329 N -0.19 1.03 -0.43 5.02 2.07 -1.71 0.07 116.25 122.11 2qkp h VAL 329 Ca -0.45 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 66.72 2qkp h VAL 329 Cb 1.25 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2qkp h VAL 329 CO 0.61 0.20 0.21 -0.08 0.02 0.00 0.00 177.57 178.53 2qkp h GLU 330 N 1.09 0.42 -0.25 1.57 4.81 -1.51 -0.26 114.58 120.46 2qkp h GLU 330 Ca 0.44 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.53 2qkp h GLU 330 Cb 0.26 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2qkp h GLU 330 CO -0.20 0.28 -0.32 1.96 -0.73 0.00 0.00 179.01 179.99 2qkp h GLN 331 N 0.43 0.65 -0.77 1.92 4.20 -1.70 -1.88 115.11 117.98 2qkp h GLN 331 Ca 0.18 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.55 2qkp h GLN 331 Cb 0.09 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 2qkp h GLN 331 CO -0.13 0.99 0.48 0.00 -0.67 0.00 0.00 178.83 179.50 2qkp h ALA 332 N 0.66 1.01 -0.21 3.87 0.00 -0.71 0.36 119.26 124.23 2qkp h ALA 332 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qkp h ALA 332 Cb 0.90 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2qkp h ALA 332 CO 0.08 0.28 0.08 -0.97 0.00 0.00 0.00 179.25 178.71 2qkp h ASN 333 N 0.94 0.30 -0.71 0.00 -1.24 -0.99 -1.56 115.58 112.31 2qkp h ASN 333 Ca 0.31 -0.18 0.10 0.00 0.71 0.00 0.00 56.30 57.23 2qkp h ASN 333 Cb 0.03 -0.08 -0.07 0.00 0.73 0.00 0.00 38.32 38.93 2qkp h ASN 333 CO -0.12 0.40 0.35 -0.07 -1.29 0.00 0.00 177.43 176.70 2qkp h LEU 334 N 0.18 0.44 0.06 0.34 3.38 -0.90 -1.44 115.31 117.37 2qkp h LEU 334 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qkp h LEU 334 Cb 0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qkp h LEU 334 CO -0.00 0.25 -0.04 0.40 0.09 0.00 0.00 178.44 179.13 2qkp h ILE 335 N 0.59 0.90 -0.83 1.22 2.04 -0.58 -0.82 117.51 120.02 2qkp h ILE 335 Ca 0.36 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.30 2qkp h ILE 335 Cb 0.39 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 2qkp h ILE 335 CO -0.28 0.00 0.54 -0.07 0.00 0.00 0.00 178.15 178.34 2qkp h LEU 336 N -0.11 0.75 0.00 1.44 3.38 -1.02 -0.78 115.31 118.98 2qkp h LEU 336 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qkp h LEU 336 Cb 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qkp h LEU 336 CO -0.00 0.46 0.00 0.59 0.09 0.00 0.00 178.44 179.58 2qkp n ASN 337 N -4.50 0.00 -0.41 -0.43 3.02 -0.56 -3.47 115.26 108.90 2qkp n ASN 337 Ca 0.13 -0.36 0.04 0.00 -0.03 0.00 0.00 54.58 54.36 2qkp n ASN 337 Cb 0.27 -0.21 0.09 0.00 -0.61 0.00 0.00 39.78 39.31 2qkp n ASN 337 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qkp n HIS 338 N -1.21 0.25 -3.22 3.10 8.25 -0.32 -4.10 115.22 117.96 2qkp n HIS 338 Ca 0.17 -0.39 -0.34 0.00 -0.26 0.00 0.00 57.72 56.90 2qkp n HIS 338 Cb 0.21 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 2qkp n HIS 338 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qkp s LEU 339 N -0.92 4.19 -0.62 2.41 1.43 -1.07 -4.96 118.68 119.15 2qkp s LEU 339 Ca 0.14 1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 54.38 2qkp s LEU 339 Cb 0.08 -3.75 -0.12 0.00 0.03 0.00 0.00 46.19 42.42 2qkp s LEU 339 CO 0.10 -0.07 3.18 -0.81 0.23 0.00 0.00 176.35 178.98 2qkp n PRO 340 N 0.13 2.76 -3.86 1.29 -0.04 -1.26 -4.82 135.00 129.20 2qkp n PRO 340 Ca 0.00 -1.80 -0.12 0.00 -0.04 0.00 0.00 63.50 61.55 2qkp n PRO 340 Cb 0.52 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.59 2qkp n PRO 340 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qkp s LEU 341 N -0.59 1.53 -0.41 1.53 1.43 -1.26 -4.55 118.68 116.36 2qkp s LEU 341 Ca 0.65 -0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 53.50 2qkp s LEU 341 Cb 0.28 0.59 0.02 0.00 0.03 0.00 0.00 46.19 47.11 2qkp s LEU 341 CO -0.07 -0.24 0.78 -1.61 0.23 0.00 0.00 176.35 175.44 2qkp s GLU 342 N -0.82 3.55 -0.15 1.70 2.02 -0.56 -4.64 118.70 119.81 2qkp s GLU 342 Ca -0.09 0.06 -0.04 0.00 0.02 0.00 0.00 54.97 54.93 2qkp s GLU 342 Cb -0.05 -3.88 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 2qkp s GLU 342 CO 0.01 -1.00 -0.03 0.42 0.02 0.00 0.00 175.26 174.67 2qkp s ILE 343 N 3.20 3.93 0.04 -1.63 1.01 -1.26 -1.21 121.20 125.28 2qkp s ILE 343 Ca 0.30 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.65 2qkp s ILE 343 Cb -0.13 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2qkp s ILE 343 CO 0.20 0.50 -0.12 0.42 0.00 0.00 0.00 174.94 175.94 2qkp s THR 344 N 0.26 0.95 -0.06 2.92 -4.23 0.27 -1.68 115.64 114.07 2qkp s THR 344 Ca -0.03 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 2qkp s THR 344 Cb -0.14 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.82 2qkp s THR 344 CO 0.03 -0.11 -0.10 0.12 -0.54 0.00 0.00 174.62 174.02 2qkp s PHE 345 N -0.98 1.22 -0.14 3.99 5.36 -0.15 -0.68 117.98 126.61 2qkp s PHE 345 Ca -0.01 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 2qkp s PHE 345 Cb -0.08 -0.93 -0.01 0.00 -0.34 0.00 0.00 43.02 41.66 2qkp s PHE 345 CO 0.01 -0.25 -0.15 0.08 -1.46 0.00 0.00 175.22 173.46 2qkp s VAL 346 N 0.73 2.85 0.87 3.12 1.01 -0.39 -1.35 120.40 127.25 2qkp s VAL 346 Ca -0.14 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 2qkp s VAL 346 Cb -0.15 -2.19 0.16 0.00 0.00 0.00 0.00 36.38 34.19 2qkp s VAL 346 CO 0.03 0.52 1.21 0.54 0.00 0.00 0.00 175.10 177.40 2qkp s ASN 347 N 0.51 3.67 0.17 3.32 2.20 -0.26 -0.08 114.94 124.46 2qkp s ASN 347 Ca -0.10 0.22 0.15 0.00 -0.94 0.00 0.00 52.86 52.19 2qkp s ASN 347 Cb -0.16 -0.44 0.72 0.00 -2.00 0.00 0.00 41.25 39.38 2qkp s ASN 347 CO 0.04 -2.36 1.46 2.29 -2.94 0.00 0.00 177.10 175.59 2qkp n LYS 348 N -3.46 0.09 -0.45 3.55 2.85 -1.23 -0.63 118.16 118.88 2qkp n LYS 348 Ca 0.14 0.49 0.08 0.00 -1.05 0.00 0.00 58.31 57.96 2qkp n LYS 348 Cb 0.60 -1.74 0.27 0.00 -0.65 0.00 0.00 35.03 33.51 2qkp n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2qkp n ASP 349 N -1.93 3.67 -1.19 -5.58 8.00 -1.26 -4.93 116.55 113.33 2qkp n ASP 349 Ca 0.01 -2.28 -0.14 0.00 0.71 0.00 0.00 54.79 53.08 2qkp n ASP 349 Cb 0.09 -0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 40.65 2qkp n ASP 349 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qkp n ASP 350 N 0.89 -4.69 -4.70 -2.24 8.00 0.19 -4.98 116.55 109.02 2qkp n ASP 350 Ca 0.20 0.30 -0.38 0.00 0.71 0.00 0.00 54.79 55.62 2qkp n ASP 350 Cb 0.68 -3.52 -0.06 0.00 -0.02 0.00 0.00 41.12 38.19 2qkp n ASP 350 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qkp s ILE 351 N -2.56 5.18 -0.34 0.53 -1.09 -1.25 -0.89 121.20 120.77 2qkp s ILE 351 Ca 0.00 0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 59.02 2qkp s ILE 351 Cb 0.00 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 2qkp s ILE 351 CO 0.00 0.29 1.34 0.12 -1.23 0.00 0.00 174.94 175.46 2qkp s PHE 352 N 0.91 2.59 -0.18 3.97 5.99 -0.15 -1.10 117.98 130.00 2qkp s PHE 352 Ca 0.24 0.79 0.14 0.00 0.00 0.00 0.00 56.93 58.10 2qkp s PHE 352 Cb -0.15 -4.07 -0.21 0.00 0.00 0.00 0.00 43.02 38.59 2qkp s PHE 352 CO 0.09 -1.80 0.03 1.04 -0.00 0.00 0.00 175.22 174.58 2qkp n GLN 353 N 7.60 1.03 -3.63 10.12 6.02 -0.45 -0.19 117.38 137.88 2qkp n GLN 353 Ca 0.15 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 2qkp n GLN 353 Cb 0.47 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 2qkp n GLN 353 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2qkp s TYR 354 N -2.43 -0.77 0.04 1.08 5.04 -1.16 -4.77 117.35 114.37 2qkp s TYR 354 Ca -0.11 1.83 0.01 0.00 -2.44 0.00 0.00 57.07 56.37 2qkp s TYR 354 Cb 0.06 0.32 -0.02 0.00 0.35 0.00 0.00 41.96 42.66 2qkp s TYR 354 CO 0.71 -0.37 -0.06 1.52 -1.34 0.00 0.00 175.55 176.01 2qkp s TYR 355 N 0.49 0.51 1.06 4.97 -0.85 -1.26 -0.98 117.35 121.30 2qkp s TYR 355 Ca -0.01 -0.56 -0.18 0.00 -0.52 0.00 0.00 57.07 55.80 2qkp s TYR 355 Cb -0.05 -0.32 0.25 0.00 0.38 0.00 0.00 41.96 42.22 2qkp s TYR 355 CO -0.02 -0.14 1.29 0.54 -1.52 0.00 0.00 175.55 175.70 2qkp s ASN 356 N -1.67 2.20 -0.53 -0.18 4.22 -0.68 -5.01 114.94 113.30 2qkp s ASN 356 Ca -0.10 0.24 0.06 0.00 -2.14 0.00 0.00 52.86 50.92 2qkp s ASN 356 Cb -0.08 -0.23 0.23 0.00 1.28 0.00 0.00 41.25 42.45 2qkp s ASN 356 CO -0.01 -3.30 0.59 -0.67 -2.04 0.00 0.00 177.10 171.67 2qkp n ASP 357 N -4.14 1.88 0.00 3.54 2.03 -1.26 -4.86 116.55 113.74 2qkp n ASP 357 Ca 0.16 -3.02 -0.02 0.00 0.52 0.00 0.00 54.79 52.44 2qkp n ASP 357 Cb 0.59 -0.66 -0.01 0.00 -0.72 0.00 0.00 41.12 40.33 2qkp n ASP 357 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2qkp n SER 358 N 1.39 0.37 -4.72 1.67 2.88 -1.26 -4.69 113.62 109.26 2qkp n SER 358 Ca 0.25 0.05 -0.40 0.00 -1.33 0.00 0.00 58.87 57.44 2qkp n SER 358 Cb 0.46 -0.13 -0.04 0.00 -0.75 0.00 0.00 64.21 63.75 2qkp n SER 358 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2qkp s VAL 359 N -2.04 4.92 0.42 2.46 1.01 -1.26 -5.01 120.40 120.90 2qkp s VAL 359 Ca -0.03 1.64 -0.25 0.00 0.00 0.00 0.00 61.98 63.34 2qkp s VAL 359 Cb 0.01 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 2qkp s VAL 359 CO 0.03 0.26 1.26 -2.65 0.00 0.00 0.00 175.10 174.00 2qkp n PRO 360 N 3.57 1.92 -0.33 2.72 -0.02 -1.26 -4.81 135.00 136.78 2qkp n PRO 360 Ca 0.00 0.68 0.18 0.00 -2.02 0.00 0.00 63.50 62.35 2qkp n PRO 360 Cb 0.51 -2.37 0.39 0.00 -0.02 0.00 0.00 33.50 32.01 2qkp n PRO 360 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qkp h ALA 361 N 2.08 1.73 0.00 3.55 0.00 -1.98 0.88 119.26 125.53 2qkp h ALA 361 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qkp h ALA 361 Cb 1.30 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2qkp h ALA 361 CO 0.60 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2qkp h ALA 362 N 1.77 1.00 -0.16 0.00 0.00 -2.04 -2.68 119.26 117.15 2qkp h ALA 362 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2qkp h ALA 362 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qkp h ALA 362 CO -0.54 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.10 2qkp n GLU 363 N -2.78 1.53 -2.25 0.00 1.02 0.28 -5.01 120.64 113.43 2qkp n GLU 363 Ca 0.00 -1.57 -0.42 0.00 -0.02 0.00 0.00 57.16 55.15 2qkp n GLU 363 Cb 0.21 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 2qkp n GLU 363 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2qkp s MET 364 N -1.02 4.36 0.10 3.49 -1.94 -1.01 -4.93 119.30 118.35 2qkp s MET 364 Ca 0.19 1.99 -0.15 0.00 -1.71 0.00 0.00 55.69 56.01 2qkp s MET 364 Cb 0.11 -3.27 -0.08 0.00 2.01 0.00 0.00 34.83 33.60 2qkp s MET 364 CO 0.16 -0.37 1.43 0.28 -0.01 0.00 0.00 175.02 176.51 2qkp h VAL 365 N 4.29 1.30 -3.53 -6.03 2.07 -1.94 -3.41 116.25 109.00 2qkp h VAL 365 Ca -0.42 -1.44 -0.67 0.00 0.82 0.00 0.00 66.70 64.99 2qkp h VAL 365 Cb 1.21 1.55 -0.36 0.00 -1.52 0.00 0.00 31.29 32.17 2qkp h VAL 365 CO 0.84 0.46 -0.82 -0.36 0.02 0.00 0.00 177.57 177.72 2qkp s PHE 366 N -4.39 3.07 0.04 1.57 0.08 -1.26 -5.08 117.98 112.00 2qkp s PHE 366 Ca -0.12 -2.02 -0.34 0.00 0.12 0.00 0.00 56.93 54.57 2qkp s PHE 366 Cb 0.09 -1.93 -0.13 0.00 -0.57 0.00 0.00 43.02 40.48 2qkp s PHE 366 CO 0.83 -0.84 1.75 1.63 -0.10 0.00 0.00 175.22 178.48 2qkp n LYS 367 N 4.52 2.22 -4.72 0.44 4.76 -1.26 -5.01 118.16 119.12 2qkp n LYS 367 Ca -0.17 0.81 -0.23 0.00 -2.87 0.00 0.00 58.31 55.85 2qkp n LYS 367 Cb 0.45 -2.63 -0.15 0.00 -1.84 0.00 0.00 35.03 30.86 2qkp n LYS 367 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2qkp s ARG 368 N 2.62 1.25 0.09 1.97 1.81 -1.26 -5.07 118.95 120.37 2qkp s ARG 368 Ca 0.86 -0.55 0.05 0.00 -1.72 0.00 0.00 55.73 54.37 2qkp s ARG 368 Cb -0.67 -1.20 -0.03 0.00 -0.45 0.00 0.00 34.95 32.60 2qkp s ARG 368 CO 0.44 0.32 -0.12 0.95 -0.68 0.00 0.00 175.30 176.22 2qkp s THR 369 N -0.34 1.06 0.31 0.02 -4.23 -1.26 -5.04 115.64 106.16 2qkp s THR 369 Ca 0.06 -1.52 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 2qkp s THR 369 Cb -0.06 -1.26 0.31 0.00 1.34 0.00 0.00 72.50 72.82 2qkp s THR 369 CO -0.01 -0.41 1.72 -0.65 -0.54 0.00 0.00 174.62 174.73 2qkp h PRO 370 N 3.83 0.52 -0.59 3.99 0.11 -2.01 -1.39 132.00 136.46 2qkp h PRO 370 Ca -0.39 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.82 2qkp h PRO 370 Cb 1.19 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2qkp h PRO 370 CO 0.48 0.35 0.41 0.77 -0.21 0.00 0.00 178.00 179.79 2qkp h SER 371 N 0.54 0.19 1.30 -2.05 0.02 -2.04 -1.13 113.55 110.38 2qkp h SER 371 Ca 0.63 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.54 2qkp h SER 371 Cb 1.21 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2qkp h SER 371 CO -0.49 0.11 -0.22 1.56 -1.14 0.00 0.00 176.83 176.65 2qkp h GLN 372 N 0.21 0.00 -6.48 3.45 4.20 -1.65 -3.44 115.11 111.40 2qkp h GLN 372 Ca 0.28 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.46 2qkp h GLN 372 Cb 0.83 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.63 2qkp h GLN 372 CO -0.05 0.22 0.87 0.08 -0.67 0.00 0.00 178.83 179.28 2qkp s VAL 373 N -3.39 3.19 0.00 -0.54 1.01 -0.43 -1.93 120.40 118.30 2qkp s VAL 373 Ca 0.03 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2qkp s VAL 373 Cb 0.08 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2qkp s VAL 373 CO 0.66 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2qkp n GLY 374 N 3.75 1.13 3.94 4.51 0.00 0.74 -5.03 105.19 114.24 2qkp n GLY 374 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2qkp n GLY 374 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qkp s ARG 375 N -0.93 3.38 0.51 1.61 0.52 -0.81 -4.77 118.95 118.45 2qkp s ARG 375 Ca 0.00 -0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 54.70 2qkp s ARG 375 Cb 0.00 -2.58 -0.06 0.00 0.52 0.00 0.00 34.95 32.83 2qkp s ARG 375 CO 0.00 -0.03 1.33 1.21 0.02 0.00 0.00 175.30 177.83 2qkp s ASN 376 N -4.10 5.59 0.39 0.23 3.84 -1.26 -0.97 114.94 118.66 2qkp s ASN 376 Ca 0.43 2.69 0.10 0.00 0.21 0.00 0.00 52.86 56.30 2qkp s ASN 376 Cb -0.10 -2.63 0.89 0.00 -0.55 0.00 0.00 41.25 38.86 2qkp s ASN 376 CO 0.38 -1.35 1.94 1.62 -2.79 0.00 0.00 177.10 176.90 2qkp h VAL 377 N 1.71 0.90 0.00 -5.21 3.04 -1.36 -2.54 116.25 112.80 2qkp h VAL 377 Ca -0.50 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2qkp h VAL 377 Cb 1.28 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2qkp h VAL 377 CO 0.59 0.11 0.17 -1.84 -1.01 0.00 0.00 177.57 175.59 2qkp n GLU 378 N -4.49 0.00 -0.08 4.17 0.28 -1.26 0.22 120.64 119.47 2qkp n GLU 378 Ca 0.13 0.27 0.12 0.00 -0.16 0.00 0.00 57.16 57.51 2qkp n GLU 378 Cb 0.37 -1.67 0.29 0.00 1.43 0.00 0.00 31.44 31.86 2qkp n GLU 378 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2qkp n LEU 379 N -1.24 2.47 -0.27 -1.84 4.32 -0.96 -3.79 117.00 115.69 2qkp n LEU 379 Ca 0.00 -0.97 0.11 0.00 -0.02 0.00 0.00 56.01 55.13 2qkp n LEU 379 Cb 0.17 -0.11 0.04 0.00 -1.62 0.00 0.00 43.42 41.91 2qkp n LEU 379 CO 0.00 0.49 0.27 0.00 -1.22 0.00 0.00 177.39 176.92 2qkp s HIS 381 N -2.68 0.60 0.25 0.00 3.76 -1.25 -5.03 115.29 110.95 2qkp s HIS 381 Ca 0.16 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 2qkp s HIS 381 Cb 0.18 -0.38 -0.14 0.00 1.11 0.00 0.00 32.58 33.35 2qkp s HIS 381 CO 0.66 -0.02 1.22 -2.30 -0.85 0.00 0.00 174.74 173.46 2qkp n PRO 382 N 2.63 1.66 -0.35 8.40 -0.02 -1.26 -4.85 135.00 141.21 2qkp n PRO 382 Ca -0.15 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.06 2qkp n PRO 382 Cb 0.57 -2.11 0.35 0.00 -0.02 0.00 0.00 33.50 32.29 2qkp n PRO 382 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2qkp h PRO 383 N 3.14 0.67 0.00 0.52 0.11 -2.00 -0.39 132.00 134.05 2qkp h PRO 383 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qkp h PRO 383 Cb 1.31 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qkp h PRO 383 CO 0.68 0.45 0.00 0.36 -0.21 0.00 0.00 178.00 179.28 2qkp n LYS 384 N -4.79 0.05 0.00 1.05 2.85 -1.26 -2.13 118.16 113.94 2qkp n LYS 384 Ca 0.24 0.54 0.03 0.00 -1.05 0.00 0.00 58.31 58.07 2qkp n LYS 384 Cb 0.64 -1.67 -0.01 0.00 -0.65 0.00 0.00 35.03 33.34 2qkp n LYS 384 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2qkp n VAL 385 N -1.78 0.00 -0.08 0.58 3.14 -0.16 -4.69 118.33 115.34 2qkp n VAL 385 Ca -0.00 -0.41 0.22 0.00 -2.96 0.00 0.00 64.34 61.19 2qkp n VAL 385 Cb 0.02 1.06 0.67 0.00 -1.06 0.00 0.00 33.84 34.53 2qkp n VAL 385 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2qkp h LEU 386 N 0.55 0.06 -0.72 6.55 -0.00 -1.37 -0.92 115.31 119.46 2qkp h LEU 386 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.77 2qkp h LEU 386 Cb 0.21 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2qkp h LEU 386 CO 0.00 0.03 -0.27 0.44 -0.00 0.00 0.00 178.44 178.64 2qkp h ASP 387 N 0.07 0.70 0.00 -0.43 3.45 -1.83 -2.23 116.42 116.15 2qkp h ASP 387 Ca 0.32 -0.26 -0.18 0.00 0.43 0.00 0.00 57.03 57.34 2qkp h ASP 387 Cb 1.20 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.77 2qkp h ASP 387 CO -0.03 0.94 -0.63 0.11 -1.57 0.00 0.00 179.24 178.06 2qkp h LYS 388 N 0.59 0.61 -0.27 3.56 1.57 -1.52 -2.47 116.57 118.64 2qkp h LYS 388 Ca 0.08 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 2qkp h LYS 388 Cb 0.77 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 2qkp h LYS 388 CO 0.06 1.05 0.14 0.28 -0.57 0.00 0.00 179.45 180.40 2qkp h VAL 389 N 0.45 1.14 -0.70 0.50 2.07 -1.38 -2.29 116.25 116.04 2qkp h VAL 389 Ca -0.01 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2qkp h VAL 389 Cb 1.20 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2qkp h VAL 389 CO 0.12 0.14 0.35 0.11 0.02 0.00 0.00 177.57 178.31 2qkp h LYS 390 N 0.31 1.00 -0.98 1.57 1.57 -1.40 -1.64 116.57 116.99 2qkp h LYS 390 Ca 0.09 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qkp h LYS 390 Cb 0.09 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 2qkp h LYS 390 CO -0.01 0.77 0.62 -0.22 -0.57 0.00 0.00 179.45 180.04 2qkp h LYS 391 N 0.97 1.30 0.41 3.15 1.63 -1.33 0.19 116.57 122.89 2qkp h LYS 391 Ca 0.24 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 2qkp h LYS 391 Cb 0.09 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 31.44 2qkp h LYS 391 CO -0.03 0.88 -0.20 0.28 -3.45 0.00 0.00 179.45 176.93 2qkp h VAL 392 N 1.33 0.54 -1.00 2.00 2.07 -1.10 -2.14 116.25 117.95 2qkp h VAL 392 Ca 0.35 -0.46 0.11 0.00 0.82 0.00 0.00 66.70 67.52 2qkp h VAL 392 Cb -0.12 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 2qkp h VAL 392 CO -0.07 0.08 0.63 -0.26 0.02 0.00 0.00 177.57 177.97 2qkp h PHE 393 N -0.84 1.16 -0.39 1.57 -1.00 -1.23 -1.74 116.94 114.46 2qkp h PHE 393 Ca -0.06 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 2qkp h PHE 393 Cb 0.55 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 2qkp h PHE 393 CO 0.01 0.49 0.08 1.49 -1.61 0.00 0.00 178.31 178.76 2qkp h GLU 394 N 1.03 0.64 -0.50 1.51 4.81 -0.92 -0.03 114.58 121.13 2qkp h GLU 394 Ca 0.48 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2qkp h GLU 394 Cb 0.42 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2qkp h GLU 394 CO -0.25 0.68 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.59 2qkp h LEU 395 N 0.50 0.87 -0.17 1.64 3.38 -0.90 0.51 115.31 121.14 2qkp h LEU 395 Ca 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2qkp h LEU 395 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2qkp h LEU 395 CO 0.00 0.96 -0.03 -0.07 0.09 0.00 0.00 178.44 179.40 2qkp h LEU 396 N 0.81 0.32 -0.57 1.67 3.38 -1.27 -1.46 115.31 118.19 2qkp h LEU 396 Ca 0.14 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2qkp h LEU 396 Cb 0.56 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2qkp h LEU 396 CO 0.03 0.60 0.34 -0.09 0.09 0.00 0.00 178.44 179.42 2qkp h ARG 397 N 0.03 0.77 0.00 1.13 2.43 -0.75 -2.89 114.38 115.11 2qkp h ARG 397 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qkp h ARG 397 Cb 0.45 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2qkp h ARG 397 CO 0.01 0.56 0.00 0.09 -1.51 0.00 0.00 179.97 179.12 2qkp n ASN 398 N -4.64 0.67 0.00 -3.80 3.02 0.15 -4.85 115.26 105.80 2qkp n ASN 398 Ca 0.04 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 2qkp n ASN 398 Cb 0.05 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2qkp n ASN 398 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qkp n GLY 399 N 0.75 0.74 0.21 7.41 0.00 -1.08 -4.94 105.19 108.28 2qkp n GLY 399 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qkp n GLY 399 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qkp h GLN 400 N 2.83 0.21 -4.75 1.61 4.20 -1.55 -3.44 115.11 114.21 2qkp h GLN 400 Ca 0.00 -0.08 -0.35 0.00 0.06 0.00 0.00 58.65 58.28 2qkp h GLN 400 Cb 0.00 -0.01 -0.25 0.00 0.30 0.00 0.00 27.48 27.52 2qkp h GLN 400 CO 0.00 0.52 -0.76 1.03 -0.67 0.00 0.00 178.83 178.95 2qkp s ARG 401 N -4.30 0.65 -0.13 1.46 1.81 -0.86 -5.03 118.95 112.55 2qkp s ARG 401 Ca -0.04 -0.58 -0.01 0.00 -1.72 0.00 0.00 55.73 53.38 2qkp s ARG 401 Cb 0.14 -0.56 -0.24 0.00 -0.45 0.00 0.00 34.95 33.83 2qkp s ARG 401 CO 0.76 0.14 0.33 -0.25 -0.68 0.00 0.00 175.30 175.59 2qkp n ASP 402 N 2.10 1.80 -4.02 0.23 8.00 -1.26 -4.23 116.55 119.16 2qkp n ASP 402 Ca -0.18 0.19 -0.10 0.00 0.71 0.00 0.00 54.79 55.41 2qkp n ASP 402 Cb 0.56 -0.59 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 2qkp n ASP 402 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2qkp s LYS 403 N -2.56 0.41 -0.08 -1.24 1.02 -1.26 -1.63 119.74 114.40 2qkp s LYS 403 Ca -0.20 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.09 2qkp s LYS 403 Cb 0.07 -0.01 0.01 0.00 -0.52 0.00 0.00 37.83 37.37 2qkp s LYS 403 CO 0.76 -0.02 -0.17 0.08 -0.92 0.00 0.00 175.35 175.08 2qkp s VAL 404 N -1.69 1.53 0.14 3.17 1.01 -0.08 -5.00 120.40 119.48 2qkp s VAL 404 Ca -0.12 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.26 2qkp s VAL 404 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2qkp s VAL 404 CO -0.01 0.44 -0.24 0.20 0.00 0.00 0.00 175.10 175.49 2qkp s ASN 405 N 0.54 3.50 0.03 3.32 -0.87 -1.26 -1.03 114.94 119.17 2qkp s ASN 405 Ca -0.16 -0.73 -0.03 0.00 -1.57 0.00 0.00 52.86 50.37 2qkp s ASN 405 Cb -0.17 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.25 40.73 2qkp s ASN 405 CO 0.06 0.16 0.04 -0.04 -2.57 0.00 0.00 177.10 174.75 2qkp s MET 406 N -2.25 0.48 -0.01 -0.60 -1.94 -0.45 -5.00 119.30 109.52 2qkp s MET 406 Ca 0.17 -0.73 -0.11 0.00 -1.71 0.00 0.00 55.69 53.31 2qkp s MET 406 Cb -0.10 0.18 0.01 0.00 2.01 0.00 0.00 34.83 36.94 2qkp s MET 406 CO 0.08 -0.10 0.23 1.67 -0.01 0.00 0.00 175.02 176.89 2qkp s TRP 407 N -2.22 -0.09 -0.03 -0.03 -2.14 -1.26 -0.01 118.94 113.16 2qkp s TRP 407 Ca -0.09 0.11 -0.29 0.00 2.66 0.00 0.00 56.10 58.49 2qkp s TRP 407 Cb -0.04 0.03 0.11 0.00 -3.10 0.00 0.00 33.47 30.47 2qkp s TRP 407 CO -0.03 -0.33 0.93 -0.59 -2.66 0.00 0.00 176.95 174.26 2qkp s PHE 408 N -1.29 -0.32 -0.03 1.66 -0.12 -0.48 -5.00 117.98 112.40 2qkp s PHE 408 Ca -0.13 0.19 -0.22 0.00 -0.05 0.00 0.00 56.93 56.72 2qkp s PHE 408 Cb -0.06 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.82 2qkp s PHE 408 CO 0.03 -0.51 0.65 -1.14 -0.05 0.00 0.00 175.22 174.20 2qkp s GLN 409 N -3.04 4.39 -0.58 1.99 2.00 -1.26 0.08 119.66 123.25 2qkp s GLN 409 Ca 0.06 0.80 -0.18 0.00 -2.00 0.00 0.00 55.36 54.04 2qkp s GLN 409 Cb -0.01 -3.39 0.11 0.00 0.80 0.00 0.00 33.01 30.52 2qkp s GLN 409 CO -0.08 0.22 0.64 0.45 -0.50 0.00 0.00 175.29 176.02 2qkp s SER 410 N 0.27 6.18 0.21 6.67 0.15 0.11 -4.93 113.70 122.37 2qkp s SER 410 Ca 0.34 -1.55 -0.09 0.00 0.70 0.00 0.00 55.95 55.34 2qkp s SER 410 Cb -0.18 -2.27 0.23 0.00 -1.71 0.00 0.00 66.02 62.09 2qkp s SER 410 CO 0.18 -1.03 1.81 -0.33 1.20 0.00 0.00 173.24 175.07 2qkp h GLU 411 N 9.09 0.68 -0.85 5.44 4.39 -1.96 0.19 114.58 131.57 2qkp h GLU 411 Ca -0.30 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 2qkp h GLU 411 Cb 1.09 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 2qkp h GLU 411 CO 1.08 0.45 0.52 -0.09 -1.16 0.00 0.00 179.01 179.82 2qkp h ARG 412 N 0.70 1.15 0.00 2.33 2.43 -1.96 -3.12 114.38 115.91 2qkp h ARG 412 Ca 0.30 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2qkp h ARG 412 Cb 0.16 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2qkp h ARG 412 CO -0.17 0.80 -1.21 1.28 -1.51 0.00 0.00 179.97 179.16 2qkp n LEU 413 N -4.44 0.56 -2.64 3.80 4.32 -1.08 -4.97 117.00 112.55 2qkp n LEU 413 Ca 0.09 0.07 -0.16 0.00 -0.02 0.00 0.00 56.01 55.99 2qkp n LEU 413 Cb 0.05 -0.07 0.06 0.00 -1.62 0.00 0.00 43.42 41.84 2qkp n LEU 413 CO 0.37 -0.02 0.17 0.61 -1.22 0.00 0.00 177.39 177.29 2qkp n GLY 414 N 1.30 -0.08 3.42 -0.72 0.00 0.66 -5.03 105.19 104.73 2qkp n GLY 414 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2qkp n GLY 414 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkp s LYS 415 N -5.85 1.74 -0.41 1.61 1.02 -1.05 -5.01 119.74 111.79 2qkp s LYS 415 Ca 0.38 -1.17 -0.15 0.00 0.02 0.00 0.00 55.97 55.06 2qkp s LYS 415 Cb -0.17 -2.04 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 2qkp s LYS 415 CO 0.50 0.49 0.30 0.12 -0.92 0.00 0.00 175.35 175.85 2qkp s PHE 416 N -1.00 3.24 -0.16 3.18 5.36 -1.26 -0.71 117.98 126.63 2qkp s PHE 416 Ca 0.15 -0.69 -0.23 0.00 -0.96 0.00 0.00 56.93 55.20 2qkp s PHE 416 Cb -0.10 -2.65 -0.02 0.00 -0.34 0.00 0.00 43.02 39.90 2qkp s PHE 416 CO 0.06 -0.63 0.71 0.08 -1.46 0.00 0.00 175.22 173.98 2qkp s VAL 417 N 1.66 4.98 -0.20 3.12 1.01 0.11 -0.53 120.40 130.55 2qkp s VAL 417 Ca 0.05 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2qkp s VAL 417 Cb -0.20 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2qkp s VAL 417 CO 0.09 0.11 -0.18 -0.47 0.00 0.00 0.00 175.10 174.65 2qkp s TYR 418 N 1.77 2.87 -0.13 5.22 5.04 -0.11 -1.39 117.35 130.62 2qkp s TYR 418 Ca 0.33 -1.76 -0.04 0.00 -2.44 0.00 0.00 57.07 53.17 2qkp s TYR 418 Cb -0.16 -1.93 -0.03 0.00 0.35 0.00 0.00 41.96 40.19 2qkp s TYR 418 CO 0.12 -0.82 -0.00 0.08 -1.34 0.00 0.00 175.55 173.59 2qkp s VAL 419 N 1.26 4.25 -0.08 3.14 1.01 0.98 -0.91 120.40 130.06 2qkp s VAL 419 Ca 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2qkp s VAL 419 Cb -0.14 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2qkp s VAL 419 CO -0.11 0.53 -0.13 -0.89 0.00 0.00 0.00 175.10 174.50 2qkp s THR 420 N -0.15 1.22 -0.23 3.92 2.01 -0.35 -1.35 115.64 120.71 2qkp s THR 420 Ca 0.04 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 2qkp s THR 420 Cb -0.13 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2qkp s THR 420 CO 0.02 0.38 0.07 -0.31 -0.69 0.00 0.00 174.62 174.08 2qkp s TYR 421 N 0.75 3.13 -0.03 4.92 2.02 -0.19 -1.19 117.35 126.74 2qkp s TYR 421 Ca -0.13 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 2qkp s TYR 421 Cb -0.16 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 2qkp s TYR 421 CO 0.03 -0.20 -0.20 0.00 -1.57 0.00 0.00 175.55 173.61 2qkp s ALA 422 N 1.23 1.70 0.15 3.71 0.00 0.98 -0.91 121.76 128.63 2qkp s ALA 422 Ca 0.05 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 2qkp s ALA 422 Cb -0.14 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 2qkp s ALA 422 CO 0.03 0.36 1.21 0.00 0.00 0.00 0.00 175.76 177.37 2qkp s ALA 423 N -0.23 3.44 -0.33 0.00 0.00 -0.65 -0.88 121.76 123.11 2qkp s ALA 423 Ca 0.02 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 2qkp s ALA 423 Cb -0.10 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2qkp s ALA 423 CO 0.01 -0.40 0.38 0.08 0.00 0.00 0.00 175.76 175.83 2qkp s VAL 424 N 0.28 5.15 0.03 0.00 1.01 -0.17 -4.89 120.40 121.80 2qkp s VAL 424 Ca 0.55 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.76 2qkp s VAL 424 Cb -0.32 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2qkp s VAL 424 CO 0.34 -0.08 -0.25 -0.13 0.00 0.00 0.00 175.10 174.99 2qkp s ARG 425 N 2.07 1.76 0.80 2.72 0.52 -1.26 -0.12 118.95 125.44 2qkp s ARG 425 Ca 0.13 -1.01 -0.14 0.00 -0.52 0.00 0.00 55.73 54.20 2qkp s ARG 425 Cb -0.16 -1.86 0.19 0.00 0.52 0.00 0.00 34.95 33.64 2qkp s ARG 425 CO 0.12 0.49 0.95 -0.40 0.02 0.00 0.00 175.30 176.48 2qkp n ASP 426 N 1.99 -0.52 0.24 0.23 5.68 -0.63 -4.85 116.55 118.70 2qkp n ASP 426 Ca -0.17 -1.25 0.10 0.00 -0.50 0.00 0.00 54.79 52.97 2qkp n ASP 426 Cb 0.52 -0.77 0.63 0.00 -1.14 0.00 0.00 41.12 40.36 2qkp n ASP 426 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 2qkp h GLN 427 N 0.00 0.00 0.00 0.11 3.07 -2.01 0.02 115.11 116.29 2qkp h GLN 427 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.42 2qkp h GLN 427 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.47 2qkp h GLN 427 CO 0.22 0.17 0.00 0.00 0.09 0.00 0.00 178.83 179.31 2qkp n ALA 428 N -2.32 2.38 -0.68 0.06 0.00 -1.26 -4.89 120.51 113.80 2qkp n ALA 428 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2qkp n ALA 428 Cb 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2qkp n ALA 428 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qkp n GLY 429 N 1.05 0.65 3.84 0.00 0.00 -0.01 -5.06 105.19 105.66 2qkp n GLY 429 Ca 0.13 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2qkp n GLY 429 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qkp s ASP 430 N -2.09 6.86 0.04 1.61 1.01 -1.26 -4.76 116.67 118.08 2qkp s ASP 430 Ca 0.00 1.24 -0.30 0.00 0.71 0.00 0.00 52.55 54.19 2qkp s ASP 430 Cb 0.00 -2.35 -0.07 0.00 1.01 0.00 0.00 42.92 41.51 2qkp s ASP 430 CO 0.00 -0.04 1.46 0.12 0.21 0.00 0.00 175.17 176.92 2qkp s PHE 431 N -1.69 2.82 -0.04 4.23 5.36 -1.26 -1.61 117.98 125.79 2qkp s PHE 431 Ca 0.46 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 2qkp s PHE 431 Cb -0.14 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 2qkp s PHE 431 CO 0.19 -2.77 0.64 1.04 -1.46 0.00 0.00 175.22 172.87 2qkp n GLN 432 N 5.17 0.08 0.00 10.12 1.13 0.83 -4.94 117.38 129.77 2qkp n GLN 432 Ca 0.13 -0.78 0.00 0.00 -1.94 0.00 0.00 57.00 54.41 2qkp n GLN 432 Cb 0.43 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.77 2qkp n GLN 432 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qkp n GLY 433 N -0.11 0.92 3.15 1.08 0.00 -1.22 -3.53 105.19 105.49 2qkp n GLY 433 Ca 0.00 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 2qkp n GLY 433 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qkp s VAL 434 N -1.43 1.86 -0.24 1.61 1.01 0.88 -1.00 120.40 123.10 2qkp s VAL 434 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2qkp s VAL 434 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2qkp s VAL 434 CO 0.00 0.51 0.12 -0.22 0.00 0.00 0.00 175.10 175.52 2qkp s LEU 435 N 0.69 3.87 -0.11 3.92 2.96 -0.06 -1.26 118.68 128.69 2qkp s LEU 435 Ca -0.11 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2qkp s LEU 435 Cb -0.16 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2qkp s LEU 435 CO 0.02 0.05 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.33 2qkp s GLU 436 N 1.15 3.16 -0.01 1.98 2.12 0.15 -0.01 118.70 127.24 2qkp s GLU 436 Ca 0.06 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.83 2qkp s GLU 436 Cb -0.14 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.56 2qkp s GLU 436 CO 0.05 0.44 -0.02 1.52 -0.54 0.00 0.00 175.26 176.71 2qkp s TYR 437 N -0.21 0.26 -0.09 5.30 -0.85 -0.34 -0.57 117.35 120.86 2qkp s TYR 437 Ca 0.03 -0.04 0.04 0.00 -0.52 0.00 0.00 57.07 56.58 2qkp s TYR 437 Cb -0.13 -0.22 0.00 0.00 0.38 0.00 0.00 41.96 41.99 2qkp s TYR 437 CO 0.03 -0.03 -0.21 0.08 -1.52 0.00 0.00 175.55 173.89 2qkp s VAL 438 N 0.19 1.83 0.05 -3.49 1.01 -0.35 -1.22 120.40 118.43 2qkp s VAL 438 Ca -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.13 2qkp s VAL 438 Cb -0.04 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2qkp s VAL 438 CO -0.00 0.51 -0.16 -1.58 0.00 0.00 0.00 175.10 173.87 2qkp s GLN 439 N 0.40 0.98 -0.34 2.72 0.74 -0.09 -1.49 119.66 122.59 2qkp s GLN 439 Ca -0.17 -0.87 -0.18 0.00 0.05 0.00 0.00 55.36 54.19 2qkp s GLN 439 Cb -0.17 -1.03 -0.01 0.00 1.10 0.00 0.00 33.01 32.90 2qkp s GLN 439 CO 0.07 0.25 0.52 0.34 -0.55 0.00 0.00 175.29 175.93 2qkp s ASP 440 N -1.36 6.34 0.00 6.67 2.15 -1.26 -0.94 116.67 128.27 2qkp s ASP 440 Ca 0.02 0.08 0.22 0.00 0.43 0.00 0.00 52.55 53.30 2qkp s ASP 440 Cb -0.09 -2.27 0.17 0.00 -0.30 0.00 0.00 42.92 40.43 2qkp s ASP 440 CO 0.02 -0.45 1.19 2.30 -0.17 0.00 0.00 175.17 178.05 2qkp n ILE 441 N 5.39 0.00 -0.21 4.11 -5.35 0.31 -4.51 119.36 119.10 2qkp n ILE 441 Ca -0.04 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 2qkp n ILE 441 Cb 0.49 1.45 0.12 0.00 -1.74 0.00 0.00 39.64 39.95 2qkp n ILE 441 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2qkp h LYS 442 N 4.23 0.39 -0.40 6.28 3.64 -1.92 -1.12 116.57 127.67 2qkp h LYS 442 Ca 0.00 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2qkp h LYS 442 Cb 0.90 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2qkp h LYS 442 CO 0.00 0.26 0.37 -1.35 -2.27 0.00 0.00 179.45 176.46 2qkp h PRO 443 N 0.41 0.00 0.00 1.90 0.11 -1.95 -0.02 132.00 132.44 2qkp h PRO 443 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2qkp h PRO 443 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2qkp h PRO 443 CO -0.32 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.66 2qkp n PHE 444 N -3.97 0.58 0.49 0.65 3.72 -0.42 -1.53 117.46 116.98 2qkp n PHE 444 Ca 0.07 0.20 0.12 0.00 -0.05 0.00 0.00 57.45 57.79 2qkp n PHE 444 Cb 0.55 -0.83 0.24 0.00 -0.94 0.00 0.00 39.48 38.50 2qkp n PHE 444 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2qkp n PHE 445 N -2.01 0.44 -1.52 1.38 3.01 -0.02 -4.36 117.46 114.37 2qkp n PHE 445 Ca 0.04 -0.22 0.07 0.00 1.01 0.00 0.00 57.45 58.35 2qkp n PHE 445 Cb 0.29 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.88 2qkp n PHE 445 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qkp n GLU 446 N 1.29 1.00 -0.02 -1.08 1.02 -0.58 -4.80 120.64 117.46 2qkp n GLU 446 Ca 0.19 -2.44 -0.08 0.00 -0.02 0.00 0.00 57.16 54.81 2qkp n GLU 446 Cb 0.56 -1.20 0.09 0.00 -0.02 0.00 0.00 31.44 30.86 2qkp n GLU 446 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2qkp h LEU 447 N 0.37 0.66 -8.30 -4.62 3.38 -1.75 -3.38 115.31 101.66 2qkp h LEU 447 Ca -0.02 -0.29 -0.61 0.00 0.09 0.00 0.00 57.88 57.04 2qkp h LEU 447 Cb 1.16 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 2qkp h LEU 447 CO 0.01 0.98 0.61 -1.81 0.09 0.00 0.00 178.44 178.32 2qkp s ASP 448 N -6.85 6.20 -0.04 -0.43 1.01 -1.26 -4.99 116.67 110.31 2qkp s ASP 448 Ca -0.08 -0.82 0.01 0.00 0.71 0.00 0.00 52.55 52.37 2qkp s ASP 448 Cb 0.12 -2.44 0.02 0.00 1.01 0.00 0.00 42.92 41.63 2qkp s ASP 448 CO 0.83 -1.46 -0.03 -0.55 0.21 0.00 0.00 175.17 174.17 2qkp s SER 449 N 3.55 0.75 0.12 0.27 0.15 -1.26 -4.99 113.70 112.28 2qkp s SER 449 Ca 0.25 -0.10 0.21 0.00 0.70 0.00 0.00 55.95 57.01 2qkp s SER 449 Cb -0.15 -0.36 0.84 0.00 -1.71 0.00 0.00 66.02 64.64 2qkp s SER 449 CO 0.12 -0.06 1.64 -1.84 1.20 0.00 0.00 173.24 174.31 2qkp n GLU 450 N 3.98 0.10 0.00 5.44 0.00 -1.26 -5.26 120.64 123.64 2qkp n GLU 450 Ca -0.25 0.28 0.06 0.00 0.00 0.00 0.00 57.16 57.25 2qkp n GLU 450 Cb 0.51 -1.67 0.05 0.00 0.00 0.00 0.00 31.44 30.33 2qkp n GLU 450 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32