#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkp n ASP 315 N 0.00 1.96 0.25 -1.43 9.92 -1.26 -4.69 116.55 121.30 2qkp n ASP 315 Ca 0.00 -1.81 0.17 0.00 -0.53 0.00 0.00 54.79 52.62 2qkp n ASP 315 Cb 0.00 -0.03 0.89 0.00 -0.64 0.00 0.00 41.12 41.33 2qkp n ASP 315 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2qkp h ARG 316 N 0.37 0.00 -0.05 -1.24 3.08 -2.00 -1.06 114.38 113.48 2qkp h ARG 316 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qkp h ARG 316 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2qkp h ARG 316 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 2qkp n THR 317 N -3.69 0.03 -2.36 2.04 -2.24 -1.26 -0.95 114.28 105.84 2qkp n THR 317 Ca -0.00 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 2qkp n THR 317 Cb 0.25 1.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 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 -1.94 3.94 0.18 4.28 2.01 -0.40 -4.78 115.64 118.93 2qkp s THR 318 Ca 0.28 1.35 -0.31 0.00 0.31 0.00 0.00 61.69 63.33 2qkp s THR 318 Cb 0.20 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 2qkp s THR 318 CO 0.30 0.05 1.40 -1.10 -0.69 0.00 0.00 174.62 174.58 2qkp s GLN 319 N 1.65 4.32 0.13 4.92 -1.52 -1.26 -4.17 119.66 123.72 2qkp s GLN 319 Ca 0.60 2.15 -0.08 0.00 -1.95 0.00 0.00 55.36 56.08 2qkp s GLN 319 Cb -0.29 -3.19 -0.01 0.00 -0.22 0.00 0.00 33.01 29.30 2qkp s GLN 319 CO 0.27 -0.39 0.21 1.14 -0.25 0.00 0.00 175.29 176.27 2qkp s GLN 320 N 0.39 0.99 0.18 2.91 -2.07 -0.15 -4.94 119.66 116.98 2qkp s GLN 320 Ca 0.62 -1.11 -0.32 0.00 -1.82 0.00 0.00 55.36 52.73 2qkp s GLN 320 Cb -0.39 0.35 -0.12 0.00 -1.09 0.00 0.00 33.01 31.76 2qkp s GLN 320 CO 0.36 -0.33 1.72 -2.30 -1.32 0.00 0.00 175.29 173.41 2qkp n PRO 321 N -0.13 2.66 -3.74 9.60 -0.02 -1.26 -1.12 135.00 140.99 2qkp n PRO 321 Ca -0.11 0.96 -0.12 0.00 -2.02 0.00 0.00 63.50 62.21 2qkp n PRO 321 Cb 0.63 -2.80 -0.12 0.00 -0.02 0.00 0.00 33.50 31.18 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 1.42 -0.34 0.00 6.00 0.08 -0.87 -4.81 117.98 119.46 2qkp s PHE 322 Ca 0.77 0.81 0.00 0.00 0.12 0.00 0.00 56.93 58.63 2qkp s PHE 322 Cb -0.54 0.08 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 2qkp s PHE 322 CO 0.34 -0.21 0.00 0.41 -0.10 0.00 0.00 175.22 175.66 2qkp n GLY 323 N 3.84 3.40 1.55 4.36 0.00 -1.26 -1.25 105.19 115.82 2qkp n GLY 323 Ca -0.21 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 3.93 4.60 0.00 1.61 3.02 -1.26 -4.95 115.26 122.22 2qkp n ASN 324 Ca 0.00 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.08 2qkp n ASN 324 Cb 0.00 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 1.05 3.78 3.20 7.41 0.00 -0.38 -5.19 105.19 115.06 2qkp n GLY 325 Ca 0.24 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2qkp n GLY 325 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qkp s TYR 326 N 2.31 -0.10 0.07 1.61 1.13 -1.24 -2.05 117.35 119.07 2qkp s TYR 326 Ca 0.00 0.11 -0.11 0.00 -1.41 0.00 0.00 57.07 55.67 2qkp s TYR 326 Cb 0.00 0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.92 2qkp s TYR 326 CO 0.00 -0.36 0.23 -0.51 -2.51 0.00 0.00 175.55 172.40 2qkp s LEU 327 N -1.39 1.20 0.49 -3.49 1.43 -0.28 -4.84 118.68 111.80 2qkp s LEU 327 Ca -0.13 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 2qkp s LEU 327 Cb -0.06 1.15 -0.02 0.00 0.03 0.00 0.00 46.19 47.29 2qkp s LEU 327 CO 0.03 -0.66 0.78 -0.94 0.23 0.00 0.00 176.35 175.79 2qkp s SER 328 N -2.45 6.07 0.21 2.29 1.04 -1.26 -0.97 113.70 118.63 2qkp s SER 328 Ca -0.00 0.78 -0.10 0.00 0.48 0.00 0.00 55.95 57.12 2qkp s SER 328 Cb 0.02 -2.04 0.30 0.00 0.10 0.00 0.00 66.02 64.40 2qkp s SER 328 CO -0.07 -0.68 1.70 0.58 0.98 0.00 0.00 173.24 175.75 2qkp h VAL 329 N 0.19 0.63 -0.61 5.02 2.07 -1.70 -0.35 116.25 121.49 2qkp h VAL 329 Ca -0.47 -0.09 0.12 0.00 0.82 0.00 0.00 66.70 67.08 2qkp h VAL 329 Cb 1.22 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.25 2qkp h VAL 329 CO 0.61 0.05 0.12 -0.08 0.02 0.00 0.00 177.57 178.28 2qkp h GLU 330 N 0.26 0.23 -0.15 1.57 4.81 -1.41 0.12 114.58 120.01 2qkp h GLU 330 Ca 0.32 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.36 2qkp h GLU 330 Cb 0.48 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.82 2qkp h GLU 330 CO -0.41 0.15 -0.60 1.96 -0.73 0.00 0.00 179.01 179.38 2qkp h GLN 331 N 0.24 0.67 -0.89 1.92 4.20 -1.64 -1.48 115.11 118.13 2qkp h GLN 331 Ca 0.32 -0.52 0.03 0.00 0.06 0.00 0.00 58.65 58.54 2qkp h GLN 331 Cb 0.50 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 2qkp h GLN 331 CO -0.43 1.14 0.58 0.00 -0.67 0.00 0.00 178.83 179.45 2qkp h ALA 332 N 0.53 1.17 -0.50 3.87 0.00 -0.85 0.54 119.26 124.03 2qkp h ALA 332 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qkp h ALA 332 Cb 1.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2qkp h ALA 332 CO 0.13 0.44 0.25 -0.97 0.00 0.00 0.00 179.25 179.10 2qkp h ASN 333 N 1.13 0.65 -0.57 0.00 -1.24 -0.86 -1.36 115.58 113.33 2qkp h ASN 333 Ca 0.35 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 2qkp h ASN 333 Cb -0.01 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.84 2qkp h ASN 333 CO -0.11 0.58 0.32 -0.07 -1.29 0.00 0.00 177.43 176.85 2qkp h LEU 334 N 0.66 0.71 -0.14 0.34 3.38 -0.82 -1.97 115.31 117.48 2qkp h LEU 334 Ca 0.17 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2qkp h LEU 334 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2qkp h LEU 334 CO -0.02 0.59 0.02 0.40 0.09 0.00 0.00 178.44 179.52 2qkp h ILE 335 N 0.77 0.93 -0.47 1.22 2.04 -0.59 -1.00 117.51 120.41 2qkp h ILE 335 Ca 0.20 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2qkp h ILE 335 Cb 0.04 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2qkp h ILE 335 CO -0.03 0.01 0.29 -0.07 0.00 0.00 0.00 178.15 178.35 2qkp h LEU 336 N 0.07 0.55 -0.29 1.44 3.38 -1.06 -0.81 115.31 118.59 2qkp h LEU 336 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qkp h LEU 336 Cb 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2qkp h LEU 336 CO -0.09 0.42 0.00 0.78 0.09 0.00 0.00 178.44 179.64 2qkp h ASN 337 N 0.64 0.00 -0.02 -0.43 2.35 -0.80 -3.27 115.58 114.05 2qkp h ASN 337 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2qkp h ASN 337 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2qkp h ASN 337 CO -0.03 0.00 -0.11 1.41 -1.65 0.00 0.00 177.43 177.05 2qkp n HIS 338 N -2.56 0.00 -2.23 1.19 8.25 -0.37 -3.97 115.22 115.53 2qkp n HIS 338 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 2qkp n HIS 338 Cb 0.41 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.76 3.66 -0.04 2.41 1.43 -0.85 -4.93 118.68 118.59 2qkp s LEU 339 Ca 0.20 1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 55.21 2qkp s LEU 339 Cb 0.16 -4.55 -0.15 0.00 0.03 0.00 0.00 46.19 41.67 2qkp s LEU 339 CO 0.30 -1.09 3.05 -0.81 0.23 0.00 0.00 176.35 178.03 2qkp n PRO 340 N -1.56 1.74 -3.86 1.29 -0.04 -1.26 -4.83 135.00 126.48 2qkp n PRO 340 Ca 0.10 -0.84 -0.12 0.00 -0.04 0.00 0.00 63.50 62.61 2qkp n PRO 340 Cb 0.52 -1.71 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.22 1.53 -0.41 1.53 1.43 -1.26 -4.50 118.68 116.78 2qkp s LEU 341 Ca 0.46 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 2qkp s LEU 341 Cb 0.23 0.59 0.02 0.00 0.03 0.00 0.00 46.19 47.05 2qkp s LEU 341 CO -0.02 -0.24 0.67 -1.61 0.23 0.00 0.00 176.35 175.39 2qkp s GLU 342 N -0.80 3.48 -0.17 1.70 2.02 -0.74 -4.72 118.70 119.48 2qkp s GLU 342 Ca -0.09 -0.12 -0.06 0.00 0.02 0.00 0.00 54.97 54.72 2qkp s GLU 342 Cb -0.05 -3.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.26 2qkp s GLU 342 CO 0.01 -0.92 0.02 0.42 0.02 0.00 0.00 175.26 174.81 2qkp s ILE 343 N 2.88 4.40 -0.02 -1.63 1.01 -1.26 -1.32 121.20 125.26 2qkp s ILE 343 Ca 0.25 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2qkp s ILE 343 Cb -0.14 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2qkp s ILE 343 CO 0.18 0.48 -0.17 -0.89 0.00 0.00 0.00 174.94 174.54 2qkp s THR 344 N 0.29 1.40 -0.09 2.92 2.01 -0.40 -1.80 115.64 119.97 2qkp s THR 344 Ca 0.01 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2qkp s THR 344 Cb -0.13 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.21 2qkp s THR 344 CO 0.01 0.40 -0.16 0.12 -0.69 0.00 0.00 174.62 174.31 2qkp s PHE 345 N -0.24 1.86 -0.12 4.92 5.36 0.24 -0.83 117.98 129.17 2qkp s PHE 345 Ca 0.03 -0.77 0.02 0.00 -0.96 0.00 0.00 56.93 55.25 2qkp s PHE 345 Cb -0.09 -1.32 -0.00 0.00 -0.34 0.00 0.00 43.02 41.27 2qkp s PHE 345 CO 0.00 -0.37 -0.19 0.08 -1.46 0.00 0.00 175.22 173.29 2qkp s VAL 346 N 0.70 2.50 0.29 3.12 1.01 -0.69 -1.32 120.40 126.01 2qkp s VAL 346 Ca -0.13 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2qkp s VAL 346 Cb -0.16 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2qkp s VAL 346 CO 0.03 0.54 0.40 -0.46 0.00 0.00 0.00 175.10 175.61 2qkp n ASN 347 N 3.69 0.20 0.15 3.32 0.23 -0.29 -0.59 115.26 121.97 2qkp n ASN 347 Ca -0.19 -1.25 0.13 0.00 -0.53 0.00 0.00 54.58 52.74 2qkp n ASN 347 Cb 0.52 -0.29 0.51 0.00 -2.08 0.00 0.00 39.78 38.45 2qkp n ASN 347 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2qkp h LYS 348 N 0.00 0.00 -0.52 -3.83 2.10 -1.88 -1.07 116.57 111.37 2qkp h LYS 348 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 2qkp h LYS 348 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2qkp h LYS 348 CO 0.11 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 2qkp n ASP 349 N -2.38 2.68 -1.93 7.07 8.00 -1.26 -4.91 116.55 123.82 2qkp n ASP 349 Ca 0.02 -2.15 -0.21 0.00 0.71 0.00 0.00 54.79 53.16 2qkp n ASP 349 Cb 0.26 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.63 -5.61 -4.68 -2.24 8.00 -0.41 -4.96 116.55 107.29 2qkp n ASP 350 Ca 0.15 0.30 -0.39 0.00 0.71 0.00 0.00 54.79 55.55 2qkp n ASP 350 Cb 0.48 -4.84 -0.06 0.00 -0.02 0.00 0.00 41.12 36.68 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 -2.86 5.12 -0.30 0.53 -1.09 -1.26 -0.48 121.20 120.86 2qkp s ILE 351 Ca 0.00 1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 59.14 2qkp s ILE 351 Cb 0.00 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 2qkp s ILE 351 CO 0.00 0.22 1.77 0.12 -1.23 0.00 0.00 174.94 175.82 2qkp s PHE 352 N 1.31 1.85 -0.14 3.97 5.99 0.86 -1.14 117.98 130.67 2qkp s PHE 352 Ca 0.26 0.59 0.11 0.00 0.00 0.00 0.00 56.93 57.88 2qkp s PHE 352 Cb -0.15 -4.11 -0.16 0.00 0.00 0.00 0.00 43.02 38.59 2qkp s PHE 352 CO 0.10 -3.00 0.02 0.94 -0.00 0.00 0.00 175.22 173.28 2qkp n GLN 353 N 8.28 1.57 -3.63 10.12 7.27 -0.43 -0.08 117.38 140.47 2qkp n GLN 353 Ca 0.22 0.01 -0.13 0.00 0.07 0.00 0.00 57.00 57.17 2qkp n GLN 353 Cb 0.46 -1.35 -0.07 0.00 2.41 0.00 0.00 30.24 31.69 2qkp n GLN 353 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 2qkp s TYR 354 N -2.34 -0.75 0.01 3.69 5.04 -1.13 -4.79 117.35 117.08 2qkp s TYR 354 Ca -0.09 1.82 -0.03 0.00 -2.44 0.00 0.00 57.07 56.32 2qkp s TYR 354 Cb 0.04 0.30 -0.01 0.00 0.35 0.00 0.00 41.96 42.64 2qkp s TYR 354 CO 0.54 -0.36 0.05 1.52 -1.34 0.00 0.00 175.55 175.96 2qkp s TYR 355 N 0.41 0.17 0.88 4.97 -0.85 -1.26 -0.59 117.35 121.08 2qkp s TYR 355 Ca 0.00 -0.36 -0.13 0.00 -0.52 0.00 0.00 57.07 56.06 2qkp s TYR 355 Cb -0.05 -0.13 0.15 0.00 0.38 0.00 0.00 41.96 42.31 2qkp s TYR 355 CO -0.01 -0.24 1.23 0.54 -1.52 0.00 0.00 175.55 175.55 2qkp s ASN 356 N -1.47 3.74 -0.68 -0.18 4.22 -0.75 -5.01 114.94 114.81 2qkp s ASN 356 Ca -0.15 0.39 0.05 0.00 -2.14 0.00 0.00 52.86 51.01 2qkp s ASN 356 Cb -0.08 -0.63 0.25 0.00 1.28 0.00 0.00 41.25 42.06 2qkp s ASN 356 CO -0.00 -2.34 0.78 -0.67 -2.04 0.00 0.00 177.10 172.82 2qkp n ASP 357 N -3.50 3.89 -0.07 3.54 2.03 -1.26 -4.84 116.55 116.33 2qkp n ASP 357 Ca 0.13 -3.42 -0.10 0.00 0.52 0.00 0.00 54.79 51.91 2qkp n ASP 357 Cb 0.60 -0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 40.21 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 0.98 2.86 -4.54 1.67 2.88 -1.25 -4.74 113.62 111.47 2qkp n SER 358 Ca 0.29 -0.08 -0.32 0.00 -1.33 0.00 0.00 58.87 57.43 2qkp n SER 358 Cb 0.40 -0.21 -0.12 0.00 -0.75 0.00 0.00 64.21 63.54 2qkp n SER 358 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qkp s VAL 359 N -2.29 3.39 0.38 2.46 -7.23 -1.26 -5.00 120.40 110.85 2qkp s VAL 359 Ca -0.19 -0.76 -0.27 0.00 -1.81 0.00 0.00 61.98 58.95 2qkp s VAL 359 Cb 0.05 -2.42 -0.11 0.00 0.56 0.00 0.00 36.38 34.46 2qkp s VAL 359 CO 0.34 0.48 1.32 -2.65 -0.31 0.00 0.00 175.10 174.27 2qkp n PRO 360 N 1.87 2.13 -0.18 4.82 -0.02 -1.26 -4.79 135.00 137.57 2qkp n PRO 360 Ca -0.16 0.75 0.23 0.00 -2.02 0.00 0.00 63.50 62.30 2qkp n PRO 360 Cb 0.52 -2.41 0.62 0.00 -0.02 0.00 0.00 33.50 32.22 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 2.41 2.51 0.00 3.55 0.00 -1.98 0.38 119.26 126.13 2qkp h ALA 361 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2qkp h ALA 361 Cb 1.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qkp h ALA 361 CO 0.62 -0.77 -0.04 0.00 0.00 0.00 0.00 179.25 179.06 2qkp h ALA 362 N 1.61 1.00 -0.11 0.00 0.00 -2.02 -3.03 119.26 116.71 2qkp h ALA 362 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2qkp h ALA 362 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2qkp h ALA 362 CO -0.08 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.61 2qkp n GLU 363 N -3.14 2.03 -2.30 0.00 1.02 0.13 -4.98 120.64 113.40 2qkp n GLU 363 Ca 0.01 -1.86 -0.42 0.00 -0.02 0.00 0.00 57.16 54.88 2qkp n GLU 363 Cb 0.38 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.67 4.40 0.05 3.49 -1.94 -0.95 -4.91 119.30 117.78 2qkp s MET 364 Ca 0.27 1.93 -0.22 0.00 -1.71 0.00 0.00 55.69 55.96 2qkp s MET 364 Cb 0.18 -3.27 -0.13 0.00 2.01 0.00 0.00 34.83 33.62 2qkp s MET 364 CO 0.27 -0.27 1.46 0.28 -0.01 0.00 0.00 175.02 176.75 2qkp h VAL 365 N 4.14 1.27 -3.73 -6.03 2.07 -1.93 -3.39 116.25 108.64 2qkp h VAL 365 Ca -0.43 -0.88 -0.65 0.00 0.82 0.00 0.00 66.70 65.56 2qkp h VAL 365 Cb 1.21 1.59 -0.38 0.00 -1.52 0.00 0.00 31.29 32.19 2qkp h VAL 365 CO 0.81 0.25 -0.76 -0.36 0.02 0.00 0.00 177.57 177.53 2qkp s PHE 366 N -4.89 3.26 0.44 1.57 0.08 -1.26 -5.10 117.98 112.09 2qkp s PHE 366 Ca -0.14 -2.49 -0.25 0.00 0.12 0.00 0.00 56.93 54.17 2qkp s PHE 366 Cb 0.05 -2.26 -0.08 0.00 -0.57 0.00 0.00 43.02 40.16 2qkp s PHE 366 CO 0.71 -0.89 1.36 0.15 -0.10 0.00 0.00 175.22 176.45 2qkp s LYS 367 N 1.09 3.76 0.02 0.44 1.02 -1.26 -5.03 119.74 119.78 2qkp s LYS 367 Ca 0.00 2.27 0.04 0.00 0.02 0.00 0.00 55.97 58.30 2qkp s LYS 367 Cb -0.19 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2qkp s LYS 367 CO -0.07 -0.70 -0.12 1.03 -0.92 0.00 0.00 175.35 174.57 2qkp s ARG 368 N -2.41 0.82 0.08 1.68 1.81 -1.26 -5.17 118.95 114.50 2qkp s ARG 368 Ca 0.60 -0.62 0.06 0.00 -1.72 0.00 0.00 55.73 54.06 2qkp s ARG 368 Cb -0.40 -0.79 -0.03 0.00 -0.45 0.00 0.00 34.95 33.27 2qkp s ARG 368 CO 0.52 0.20 -0.17 0.95 -0.68 0.00 0.00 175.30 176.12 2qkp s THR 369 N -0.71 1.33 0.50 0.02 -4.23 -1.26 -5.03 115.64 106.25 2qkp s THR 369 Ca 0.01 -1.34 0.21 0.00 -1.18 0.00 0.00 61.69 59.39 2qkp s THR 369 Cb -0.07 -1.23 0.37 0.00 1.34 0.00 0.00 72.50 72.91 2qkp s THR 369 CO 0.01 -0.13 1.99 -0.65 -0.54 0.00 0.00 174.62 175.29 2qkp h PRO 370 N 4.32 0.14 -0.61 3.99 0.11 -2.02 -0.48 132.00 137.45 2qkp h PRO 370 Ca -0.42 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.81 2qkp h PRO 370 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2qkp h PRO 370 CO 0.40 0.09 0.41 0.77 -0.21 0.00 0.00 178.00 179.47 2qkp h SER 371 N 0.14 0.25 1.04 -2.05 0.02 -2.04 -2.10 113.55 108.81 2qkp h SER 371 Ca 0.27 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.17 2qkp h SER 371 Cb 0.87 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2qkp h SER 371 CO -0.04 0.14 -0.30 1.56 -1.14 0.00 0.00 176.83 177.06 2qkp h GLN 372 N 0.28 0.00 -6.57 3.45 4.20 -1.49 -3.45 115.11 111.52 2qkp h GLN 372 Ca 0.29 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.47 2qkp h GLN 372 Cb 0.76 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.58 2qkp h GLN 372 CO -0.06 0.30 1.02 0.08 -0.67 0.00 0.00 178.83 179.49 2qkp s VAL 373 N -3.51 2.43 0.00 -0.54 1.01 -0.79 -1.78 120.40 117.22 2qkp s VAL 373 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2qkp s VAL 373 Cb 0.10 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2qkp s VAL 373 CO 0.67 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2qkp n GLY 374 N 4.02 2.04 3.83 4.51 0.00 0.88 -5.02 105.19 115.45 2qkp n GLY 374 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.86 4.15 0.34 1.61 0.52 -0.73 -4.76 118.95 119.22 2qkp s ARG 375 Ca 0.00 0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 55.69 2qkp s ARG 375 Cb 0.00 -2.78 -0.12 0.00 0.52 0.00 0.00 34.95 32.57 2qkp s ARG 375 CO 0.00 0.35 1.34 -1.71 0.02 0.00 0.00 175.30 175.31 2qkp n ASN 376 N 0.48 3.01 0.22 0.23 2.85 -1.26 -0.10 115.26 120.68 2qkp n ASN 376 Ca -0.01 1.21 0.17 0.00 -0.11 0.00 0.00 54.58 55.83 2qkp n ASN 376 Cb 0.52 -1.51 0.83 0.00 1.24 0.00 0.00 39.78 40.85 2qkp n ASN 376 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 2qkp h VAL 377 N 2.67 0.51 -0.24 3.44 3.04 -1.12 -1.63 116.25 122.93 2qkp h VAL 377 Ca -0.47 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.15 2qkp h VAL 377 Cb 1.27 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 2qkp h VAL 377 CO 0.64 0.00 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.70 2qkp h GLU 378 N 0.00 0.41 -0.14 4.17 5.08 -1.89 -2.33 114.58 119.88 2qkp h GLU 378 Ca 0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2qkp h GLU 378 Cb 0.41 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2qkp h GLU 378 CO -0.00 0.57 0.00 1.28 -1.00 0.00 0.00 179.01 179.86 2qkp n LEU 379 N -4.19 1.38 -0.61 1.33 4.77 -0.61 -3.58 117.00 115.49 2qkp n LEU 379 Ca -0.00 -0.58 0.12 0.00 -0.03 0.00 0.00 56.01 55.52 2qkp n LEU 379 Cb 0.34 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2qkp n LEU 379 CO 0.40 0.29 0.51 0.00 -1.33 0.00 0.00 177.39 177.26 2qkp s HIS 381 N -2.28 1.28 0.52 0.00 3.76 -1.23 -5.12 115.29 112.21 2qkp s HIS 381 Ca 0.24 -0.52 -0.23 0.00 -0.15 0.00 0.00 55.06 54.41 2qkp s HIS 381 Cb 0.19 -0.70 -0.06 0.00 1.11 0.00 0.00 32.58 33.13 2qkp s HIS 381 CO 0.46 0.09 1.38 -0.35 -0.85 0.00 0.00 174.74 175.46 2qkp n PRO 382 N 0.90 1.84 0.20 8.40 -0.04 -1.26 -4.89 135.00 140.15 2qkp n PRO 382 Ca -0.18 0.67 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 2qkp n PRO 382 Cb 0.56 -2.59 0.68 0.00 -0.04 0.00 0.00 33.50 32.11 2qkp n PRO 382 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2qkp h PRO 383 N 1.66 0.00 0.00 0.54 0.11 -2.00 -2.01 132.00 130.31 2qkp h PRO 383 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qkp h PRO 383 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qkp h PRO 383 CO 0.58 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.73 2qkp n LYS 384 N -4.41 0.33 0.00 1.05 2.85 -1.26 -2.37 118.16 114.35 2qkp n LYS 384 Ca 0.00 0.07 0.03 0.00 -1.05 0.00 0.00 58.31 57.37 2qkp n LYS 384 Cb 0.23 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.08 2qkp n LYS 384 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2qkp n VAL 385 N -1.27 0.00 -0.33 0.58 0.31 -0.76 -4.70 118.33 112.16 2qkp n VAL 385 Ca 0.11 -0.36 0.17 0.00 -0.01 0.00 0.00 64.34 64.25 2qkp n VAL 385 Cb 0.17 1.02 0.38 0.00 -0.91 0.00 0.00 33.84 34.50 2qkp n VAL 385 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2qkp h LEU 386 N 0.22 0.51 -0.92 7.52 5.85 -1.46 -0.43 115.31 126.60 2qkp h LEU 386 Ca 0.00 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2qkp h LEU 386 Cb 0.18 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2qkp h LEU 386 CO 0.00 0.01 -0.23 0.44 -0.34 0.00 0.00 178.44 178.32 2qkp h ASP 387 N 0.46 0.53 -0.13 1.25 3.32 -1.84 -0.72 116.42 119.29 2qkp h ASP 387 Ca 0.64 -0.17 -0.20 0.00 0.02 0.00 0.00 57.03 57.31 2qkp h ASP 387 Cb 1.27 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2qkp h ASP 387 CO -0.53 0.76 -0.69 0.11 -1.72 0.00 0.00 179.24 177.17 2qkp h LYS 388 N 0.47 0.76 -0.25 3.56 1.57 -1.45 -2.13 116.57 119.10 2qkp h LYS 388 Ca 0.07 -0.56 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 2qkp h LYS 388 Cb 0.65 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2qkp h LYS 388 CO 0.05 1.18 0.15 0.28 -0.57 0.00 0.00 179.45 180.54 2qkp h VAL 389 N 0.54 1.04 -0.68 0.50 2.07 -1.10 -2.65 116.25 115.97 2qkp h VAL 389 Ca -0.02 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2qkp h VAL 389 Cb 1.30 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2qkp h VAL 389 CO 0.14 0.06 0.24 0.11 0.02 0.00 0.00 177.57 178.14 2qkp h LYS 390 N 0.31 1.04 -0.24 1.57 1.57 -1.12 -1.41 116.57 118.30 2qkp h LYS 390 Ca 0.09 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2qkp h LYS 390 Cb -0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2qkp h LYS 390 CO -0.04 0.88 0.07 -0.22 -0.57 0.00 0.00 179.45 179.58 2qkp h LYS 391 N 0.99 0.18 -0.13 3.15 3.64 -1.27 0.13 116.57 123.25 2qkp h LYS 391 Ca 0.22 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2qkp h LYS 391 Cb 0.25 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2qkp h LYS 391 CO -0.01 0.12 0.00 0.28 -2.27 0.00 0.00 179.45 177.57 2qkp h VAL 392 N 0.18 1.25 -0.65 2.00 2.07 -1.24 -2.16 116.25 117.70 2qkp h VAL 392 Ca 0.11 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2qkp h VAL 392 Cb 0.08 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qkp h VAL 392 CO -0.12 0.23 0.26 -0.26 0.02 0.00 0.00 177.57 177.70 2qkp h PHE 393 N -0.04 0.96 -0.34 1.57 -1.00 -1.09 -2.28 116.94 114.72 2qkp h PHE 393 Ca 0.04 -0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.66 2qkp h PHE 393 Cb 0.35 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 2qkp h PHE 393 CO 0.03 0.74 -0.15 0.93 -1.61 0.00 0.00 178.31 178.25 2qkp h GLU 394 N 0.93 0.70 -0.59 1.51 5.08 -0.96 -0.21 114.58 121.05 2qkp h GLU 394 Ca 0.22 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2qkp h GLU 394 Cb 0.18 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2qkp h GLU 394 CO -0.02 0.90 0.31 -0.07 -1.00 0.00 0.00 179.01 179.13 2qkp h LEU 395 N 0.48 0.45 -0.19 1.33 3.38 -1.22 0.54 115.31 120.08 2qkp h LEU 395 Ca 0.08 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2qkp h LEU 395 Cb 0.68 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qkp h LEU 395 CO 0.05 0.30 -0.12 -0.07 0.09 0.00 0.00 178.44 178.68 2qkp h LEU 396 N 0.59 0.44 -0.46 1.67 3.38 -1.32 -1.48 115.31 118.12 2qkp h LEU 396 Ca 0.27 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2qkp h LEU 396 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2qkp h LEU 396 CO -0.18 0.78 0.20 -0.09 0.09 0.00 0.00 178.44 179.24 2qkp h ARG 397 N 0.10 0.68 0.00 1.13 2.43 -0.79 -2.33 114.38 115.60 2qkp h ARG 397 Ca 0.04 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2qkp h ARG 397 Cb 0.63 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2qkp h ARG 397 CO 0.03 0.61 0.00 0.09 -1.51 0.00 0.00 179.97 179.19 2qkp n ASN 398 N -4.61 0.00 -0.28 -3.80 3.02 0.16 -4.89 115.26 104.87 2qkp n ASN 398 Ca 0.01 -0.19 -0.03 0.00 -0.03 0.00 0.00 54.58 54.34 2qkp n ASN 398 Cb 0.14 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.56 0.50 0.20 7.41 0.00 -0.88 -4.92 105.19 108.06 2qkp n GLY 399 Ca 0.12 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.46 -3.72 1.61 4.20 -1.53 -3.45 115.11 112.68 2qkp h GLN 400 Ca -0.07 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.23 2qkp h GLN 400 Cb 0.48 0.04 -0.16 0.00 0.30 0.00 0.00 27.48 28.13 2qkp h GLN 400 CO 0.09 0.90 -0.43 1.03 -0.67 0.00 0.00 178.83 179.75 2qkp s ARG 401 N -3.90 0.70 0.19 1.46 0.52 -1.24 -5.04 118.95 111.64 2qkp s ARG 401 Ca -0.06 -0.77 0.18 0.00 -0.52 0.00 0.00 55.73 54.55 2qkp s ARG 401 Cb 0.11 0.28 -0.00 0.00 0.52 0.00 0.00 34.95 35.87 2qkp s ARG 401 CO 0.83 -0.20 1.15 0.38 0.02 0.00 0.00 175.30 177.48 2qkp h ASP 402 N 3.31 0.00 -5.02 0.23 2.03 -1.91 -3.40 116.42 111.65 2qkp h ASP 402 Ca -0.33 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.86 2qkp h ASP 402 Cb 1.19 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.50 2qkp h ASP 402 CO 0.52 0.40 -0.33 -0.54 -1.03 0.00 0.00 179.24 178.26 2qkp s LYS 403 N -3.04 0.68 -0.08 4.15 1.02 -1.26 -0.88 119.74 120.34 2qkp s LYS 403 Ca 0.01 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.62 2qkp s LYS 403 Cb 0.08 0.29 0.01 0.00 -0.52 0.00 0.00 37.83 37.70 2qkp s LYS 403 CO 0.77 -0.20 -0.15 0.08 -0.92 0.00 0.00 175.35 174.94 2qkp s VAL 404 N -1.95 1.36 0.11 3.17 1.01 -0.16 -4.98 120.40 118.96 2qkp s VAL 404 Ca -0.10 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.38 2qkp s VAL 404 Cb -0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2qkp s VAL 404 CO 0.00 0.41 -0.19 0.20 0.00 0.00 0.00 175.10 175.52 2qkp s ASN 405 N 0.68 3.82 0.05 3.32 0.01 -1.26 -1.05 114.94 120.51 2qkp s ASN 405 Ca -0.14 -0.56 -0.02 0.00 -0.71 0.00 0.00 52.86 51.43 2qkp s ASN 405 Cb -0.16 -0.52 -0.03 0.00 0.41 0.00 0.00 41.25 40.95 2qkp s ASN 405 CO 0.04 0.19 0.00 0.00 -1.51 0.00 0.00 177.10 175.82 2qkp s MET 406 N -2.05 0.57 0.03 -0.60 0.23 -0.50 -4.99 119.30 111.98 2qkp s MET 406 Ca 0.17 -1.02 -0.12 0.00 -1.03 0.00 0.00 55.69 53.69 2qkp s MET 406 Cb -0.10 0.20 0.01 0.00 -1.53 0.00 0.00 34.83 33.41 2qkp s MET 406 CO 0.09 -0.11 0.25 1.67 -2.03 0.00 0.00 175.02 174.89 2qkp s TRP 407 N -3.26 -0.04 0.05 3.16 -2.14 -1.26 -0.25 118.94 115.20 2qkp s TRP 407 Ca 0.01 -0.09 -0.27 0.00 2.66 0.00 0.00 56.10 58.40 2qkp s TRP 407 Cb 0.03 0.04 0.09 0.00 -3.10 0.00 0.00 33.47 30.53 2qkp s TRP 407 CO -0.08 -0.45 0.84 -0.59 -2.66 0.00 0.00 176.95 174.02 2qkp s PHE 408 N -2.33 -0.35 -0.10 1.66 -0.12 -0.54 -5.01 117.98 111.18 2qkp s PHE 408 Ca -0.07 0.17 -0.20 0.00 -0.05 0.00 0.00 56.93 56.78 2qkp s PHE 408 Cb -0.02 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 2qkp s PHE 408 CO -0.02 -0.65 0.54 -1.14 -0.05 0.00 0.00 175.22 173.90 2qkp s GLN 409 N -3.27 4.37 -0.55 1.99 0.74 -1.26 -0.32 119.66 121.36 2qkp s GLN 409 Ca 0.05 0.58 -0.15 0.00 0.05 0.00 0.00 55.36 55.89 2qkp s GLN 409 Cb -0.01 -3.44 0.13 0.00 1.10 0.00 0.00 33.01 30.79 2qkp s GLN 409 CO -0.08 0.13 0.49 0.45 -0.55 0.00 0.00 175.29 175.73 2qkp s SER 410 N 0.67 6.14 0.25 6.67 0.15 0.34 -4.90 113.70 123.01 2qkp s SER 410 Ca 0.29 -1.87 -0.03 0.00 0.70 0.00 0.00 55.95 55.05 2qkp s SER 410 Cb -0.16 -2.18 0.29 0.00 -1.71 0.00 0.00 66.02 62.27 2qkp s SER 410 CO 0.13 -0.81 1.71 -0.08 1.20 0.00 0.00 173.24 175.39 2qkp h GLU 411 N 8.74 0.77 -0.77 5.44 4.57 -1.96 -0.17 114.58 131.20 2qkp h GLU 411 Ca -0.26 -0.24 0.03 0.00 -1.18 0.00 0.00 59.36 57.71 2qkp h GLU 411 Cb 1.09 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.56 2qkp h GLU 411 CO 0.99 0.84 0.49 -0.09 -1.18 0.00 0.00 179.01 180.05 2qkp h ARG 412 N 0.70 0.92 -0.01 1.92 1.12 -1.95 -3.02 114.38 114.06 2qkp h ARG 412 Ca 0.12 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 2qkp h ARG 412 Cb 0.55 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2qkp h ARG 412 CO 0.03 0.61 -0.60 1.28 -3.11 0.00 0.00 179.97 178.18 2qkp n LEU 413 N -4.62 1.56 -1.83 3.80 4.77 -1.19 -4.96 117.00 114.53 2qkp n LEU 413 Ca 0.09 -0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 55.35 2qkp n LEU 413 Cb 0.10 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2qkp n LEU 413 CO 0.33 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2qkp n GLY 414 N 1.44 0.00 3.34 -0.72 0.00 -0.14 -5.03 105.19 104.09 2qkp n GLY 414 Ca 0.08 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.21 1.46 -0.38 1.61 1.02 -0.83 -5.00 119.74 112.41 2qkp s LYS 415 Ca 0.18 -1.18 -0.12 0.00 0.02 0.00 0.00 55.97 54.86 2qkp s LYS 415 Cb -0.08 -1.77 0.02 0.00 -0.52 0.00 0.00 37.83 35.49 2qkp s LYS 415 CO 0.22 0.43 0.23 0.12 -0.92 0.00 0.00 175.35 175.43 2qkp s PHE 416 N -0.97 3.24 -0.14 3.18 5.36 -1.26 -0.51 117.98 126.89 2qkp s PHE 416 Ca 0.11 -0.85 -0.20 0.00 -0.96 0.00 0.00 56.93 55.02 2qkp s PHE 416 Cb -0.10 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.07 2qkp s PHE 416 CO 0.04 -0.63 0.58 0.08 -1.46 0.00 0.00 175.22 173.83 2qkp s VAL 417 N 1.59 5.09 -0.17 3.12 1.01 0.57 -0.44 120.40 131.16 2qkp s VAL 417 Ca 0.03 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.16 2qkp s VAL 417 Cb -0.19 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2qkp s VAL 417 CO 0.08 0.22 -0.20 -0.47 0.00 0.00 0.00 175.10 174.72 2qkp s TYR 418 N 1.23 2.75 -0.08 5.22 5.04 -0.11 -1.47 117.35 129.93 2qkp s TYR 418 Ca 0.29 -1.61 0.02 0.00 -2.44 0.00 0.00 57.07 53.33 2qkp s TYR 418 Cb -0.16 -1.90 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 2qkp s TYR 418 CO 0.12 -0.78 -0.11 0.08 -1.34 0.00 0.00 175.55 173.51 2qkp s VAL 419 N 1.24 3.29 -0.04 3.14 1.01 0.66 -1.01 120.40 128.69 2qkp s VAL 419 Ca 0.04 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.42 2qkp s VAL 419 Cb -0.13 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2qkp s VAL 419 CO -0.12 0.57 -0.11 -0.89 0.00 0.00 0.00 175.10 174.56 2qkp s THR 420 N -0.47 0.97 -0.21 3.92 2.01 -0.65 -1.41 115.64 119.80 2qkp s THR 420 Ca 0.06 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 2qkp s THR 420 Cb -0.12 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 2qkp s THR 420 CO 0.02 0.30 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.85 2qkp s TYR 421 N 0.27 2.91 0.01 4.92 2.02 -0.21 -1.18 117.35 126.10 2qkp s TYR 421 Ca -0.06 -1.11 0.07 0.00 -0.37 0.00 0.00 57.07 55.61 2qkp s TYR 421 Cb -0.11 -2.05 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 2qkp s TYR 421 CO 0.01 -0.60 -0.22 0.00 -1.57 0.00 0.00 175.55 173.17 2qkp s ALA 422 N 1.38 1.85 0.07 3.71 0.00 0.11 -0.99 121.76 127.89 2qkp s ALA 422 Ca 0.05 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 2qkp s ALA 422 Cb -0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 2qkp s ALA 422 CO -0.05 0.44 1.23 0.00 0.00 0.00 0.00 175.76 177.37 2qkp s ALA 423 N -0.65 3.42 -0.29 0.00 0.00 -0.06 -0.66 121.76 123.53 2qkp s ALA 423 Ca 0.08 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 2qkp s ALA 423 Cb -0.09 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2qkp s ALA 423 CO 0.00 -0.46 0.39 0.08 0.00 0.00 0.00 175.76 175.78 2qkp s VAL 424 N 1.06 5.15 0.08 0.00 1.01 0.28 -4.89 120.40 123.10 2qkp s VAL 424 Ca 0.60 0.50 0.06 0.00 0.00 0.00 0.00 61.98 63.14 2qkp s VAL 424 Cb -0.31 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2qkp s VAL 424 CO 0.29 0.09 -0.17 -0.13 0.00 0.00 0.00 175.10 175.18 2qkp s ARG 425 N 2.11 0.94 0.41 2.72 0.52 -1.26 -0.31 118.95 124.07 2qkp s ARG 425 Ca 0.15 -1.02 -0.03 0.00 -0.52 0.00 0.00 55.73 54.30 2qkp s ARG 425 Cb -0.16 -1.05 0.09 0.00 0.52 0.00 0.00 34.95 34.35 2qkp s ARG 425 CO 0.10 0.24 0.56 -0.40 0.02 0.00 0.00 175.30 175.82 2qkp n ASP 426 N 1.24 0.41 0.12 0.23 5.68 -0.93 -4.90 116.55 118.40 2qkp n ASP 426 Ca -0.20 -1.42 0.04 0.00 -0.50 0.00 0.00 54.79 52.70 2qkp n ASP 426 Cb 0.54 -0.39 0.46 0.00 -1.14 0.00 0.00 41.12 40.58 2qkp n ASP 426 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2qkp h GLN 427 N 0.00 0.27 0.00 0.11 4.15 -2.02 -0.89 115.11 116.73 2qkp h GLN 427 Ca -0.18 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.20 2qkp h GLN 427 Cb 0.59 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2qkp h GLN 427 CO 0.16 0.29 0.00 0.00 -1.93 0.00 0.00 178.83 177.35 2qkp n ALA 428 N -2.50 1.75 -0.38 3.38 0.00 -1.26 -4.85 120.51 116.65 2qkp n ALA 428 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2qkp n ALA 428 Cb 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.19 0.77 3.81 0.00 0.00 -0.34 -5.06 105.19 104.55 2qkp n GLY 429 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.38 7.09 -0.09 1.61 1.01 -1.26 -4.79 116.67 117.87 2qkp s ASP 430 Ca 0.00 1.73 -0.29 0.00 0.71 0.00 0.00 52.55 54.70 2qkp s ASP 430 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2qkp s ASP 430 CO 0.00 -0.24 0.99 0.12 0.21 0.00 0.00 175.17 176.25 2qkp s PHE 431 N -1.95 3.54 -0.74 4.23 5.36 -1.26 -2.18 117.98 124.98 2qkp s PHE 431 Ca 0.57 1.60 0.07 0.00 -0.96 0.00 0.00 56.93 58.21 2qkp s PHE 431 Cb -0.13 -3.16 0.03 0.00 -0.34 0.00 0.00 43.02 39.42 2qkp s PHE 431 CO 0.17 -0.18 0.63 1.04 -1.46 0.00 0.00 175.22 175.42 2qkp n GLN 432 N 4.77 0.91 0.00 10.12 1.13 0.57 -4.84 117.38 130.04 2qkp n GLN 432 Ca 0.08 -0.73 0.00 0.00 -1.94 0.00 0.00 57.00 54.41 2qkp n GLN 432 Cb 0.49 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.78 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 0.53 0.83 3.28 1.08 0.00 -1.23 -3.34 105.19 106.35 2qkp n GLY 433 Ca 0.03 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.03 2.74 -0.27 1.61 1.01 0.24 -0.56 120.40 124.15 2qkp s VAL 434 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2qkp s VAL 434 Cb 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2qkp s VAL 434 CO 0.00 0.52 0.12 -0.22 0.00 0.00 0.00 175.10 175.52 2qkp s LEU 435 N 0.73 3.74 -0.12 3.92 2.96 0.17 -1.71 118.68 128.36 2qkp s LEU 435 Ca -0.06 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2qkp s LEU 435 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 2qkp s LEU 435 CO 0.01 -0.06 0.00 -0.70 -1.32 0.00 0.00 176.35 174.28 2qkp s GLU 436 N 1.67 3.37 -0.02 1.98 2.12 -0.01 0.08 118.70 127.89 2qkp s GLU 436 Ca 0.06 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.97 2qkp s GLU 436 Cb -0.16 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.34 2qkp s GLU 436 CO 0.07 0.50 -0.00 1.52 -0.54 0.00 0.00 175.26 176.80 2qkp s TYR 437 N -0.30 0.23 -0.15 5.30 -0.85 -0.32 -1.28 117.35 119.98 2qkp s TYR 437 Ca 0.06 0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 56.61 2qkp s TYR 437 Cb -0.12 -0.29 -0.02 0.00 0.38 0.00 0.00 41.96 41.91 2qkp s TYR 437 CO 0.02 -0.08 -0.10 0.08 -1.52 0.00 0.00 175.55 173.94 2qkp s VAL 438 N 0.71 3.23 0.09 -3.49 1.01 -0.43 -1.64 120.40 119.88 2qkp s VAL 438 Ca -0.07 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2qkp s VAL 438 Cb -0.10 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2qkp s VAL 438 CO -0.01 0.51 -0.21 -1.58 0.00 0.00 0.00 175.10 173.81 2qkp s GLN 439 N 0.49 1.14 -0.33 2.72 0.74 -0.18 -1.79 119.66 122.46 2qkp s GLN 439 Ca -0.08 -1.13 -0.18 0.00 0.05 0.00 0.00 55.36 54.03 2qkp s GLN 439 Cb -0.15 -1.38 -0.01 0.00 1.10 0.00 0.00 33.01 32.56 2qkp s GLN 439 CO 0.04 0.32 0.51 0.34 -0.55 0.00 0.00 175.29 175.95 2qkp s ASP 440 N -1.81 6.34 0.00 6.67 2.15 -1.26 -0.93 116.67 127.82 2qkp s ASP 440 Ca 0.06 0.10 0.22 0.00 0.43 0.00 0.00 52.55 53.37 2qkp s ASP 440 Cb -0.10 -2.27 0.37 0.00 -0.30 0.00 0.00 42.92 40.62 2qkp s ASP 440 CO 0.04 -0.43 1.35 2.30 -0.17 0.00 0.00 175.17 178.26 2qkp n ILE 441 N 5.36 0.42 -0.23 4.11 -5.35 0.41 -4.56 119.36 119.52 2qkp n ILE 441 Ca -0.05 -0.71 -0.01 0.00 -0.27 0.00 0.00 62.75 61.72 2qkp n ILE 441 Cb 0.49 1.06 0.11 0.00 -1.74 0.00 0.00 39.64 39.56 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 4.34 0.61 -0.82 6.28 3.64 -1.92 -1.67 116.57 127.03 2qkp h LYS 442 Ca 0.00 -0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.58 2qkp h LYS 442 Cb 0.96 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2qkp h LYS 442 CO 0.00 0.40 0.60 -1.35 -2.27 0.00 0.00 179.45 176.83 2qkp h PRO 443 N 0.63 0.00 0.00 1.90 0.11 -1.95 0.12 132.00 132.80 2qkp h PRO 443 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2qkp h PRO 443 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2qkp h PRO 443 CO -0.22 0.00 0.00 0.74 -0.21 0.00 0.00 178.00 178.31 2qkp h PHE 444 N 0.00 0.00 -0.01 0.65 0.04 -1.64 -2.04 116.94 113.94 2qkp h PHE 444 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 2qkp h PHE 444 Cb 1.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.73 2qkp h PHE 444 CO 0.00 0.00 -0.48 1.19 -0.60 0.00 0.00 178.31 178.42 2qkp n PHE 445 N -2.48 0.00 -1.75 -0.55 3.72 0.02 -4.38 117.46 112.04 2qkp n PHE 445 Ca 0.03 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 2qkp n PHE 445 Cb 0.31 -0.08 0.18 0.00 -0.94 0.00 0.00 39.48 38.95 2qkp n PHE 445 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2qkp n GLU 446 N -0.69 1.44 -0.15 -1.08 0.28 -0.77 -4.78 120.64 114.89 2qkp n GLU 446 Ca 0.09 -3.16 -0.09 0.00 -0.16 0.00 0.00 57.16 53.84 2qkp n GLU 446 Cb 0.38 -1.42 -0.00 0.00 1.43 0.00 0.00 31.44 31.84 2qkp n GLU 446 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2qkp h LEU 447 N 1.05 0.60 -3.97 -1.84 3.38 -1.75 -2.96 115.31 109.82 2qkp h LEU 447 Ca -0.02 -0.16 -0.52 0.00 0.09 0.00 0.00 57.88 57.27 2qkp h LEU 447 Cb 1.15 -0.16 -0.31 0.00 0.09 0.00 0.00 40.66 41.44 2qkp h LEU 447 CO 0.04 0.60 0.65 0.47 0.09 0.00 0.00 178.44 180.30 2qkp n ASP 448 N -4.62 3.78 -4.77 -0.43 8.00 -1.26 -5.02 116.55 112.24 2qkp n ASP 448 Ca 0.01 -3.59 -0.39 0.00 0.71 0.00 0.00 54.79 51.52 2qkp n ASP 448 Cb 0.15 -0.84 -0.02 0.00 -0.02 0.00 0.00 41.12 40.39 2qkp n ASP 448 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2qkp s SER 449 N -1.28 6.64 0.22 -2.24 1.04 -1.12 -4.95 113.70 112.00 2qkp s SER 449 Ca 0.56 2.44 -0.30 0.00 0.48 0.00 0.00 55.95 59.14 2qkp s SER 449 Cb 0.47 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.88 2qkp s SER 449 CO 0.11 -0.60 1.13 -0.70 0.98 0.00 0.00 173.24 174.16 2qkp s GLU 450 N -2.08 4.57 0.00 4.02 2.12 -1.26 -5.16 118.70 120.91 2qkp s GLU 450 Ca 0.54 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.67 2qkp s GLU 450 Cb -0.34 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 30.82 2qkp s GLU 450 CO 0.43 0.07 0.00 1.19 -0.54 0.00 0.00 175.26 176.41