#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nek n ILE 320 N 0.00 1.25 -1.72 -1.44 -6.64 -1.26 -5.08 119.36 104.48 3nek n ILE 320 Ca 0.00 -2.33 -0.43 0.00 -1.77 0.00 0.00 62.75 58.22 3nek n ILE 320 Cb 0.00 0.31 -0.03 0.00 -1.44 0.00 0.00 39.64 38.48 3nek n ILE 320 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 3nek n ARG 321 N -0.39 2.60 -2.49 6.28 0.63 -1.26 -4.97 116.66 117.06 3nek n ARG 321 Ca 0.14 0.93 -0.42 0.00 -0.92 0.00 0.00 57.85 57.59 3nek n ARG 321 Cb 0.90 -2.73 -0.03 0.00 0.45 0.00 0.00 32.46 31.05 3nek n ARG 321 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3nek s ILE 322 N 0.55 4.11 -0.20 5.15 1.01 -1.26 -5.03 121.20 125.53 3nek s ILE 322 Ca 0.70 1.59 -0.09 0.00 0.00 0.00 0.00 60.65 62.85 3nek s ILE 322 Cb -0.54 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 3nek s ILE 322 CO 0.41 0.16 0.12 -0.75 0.00 0.00 0.00 174.94 174.88 3nek s LYS 323 N 0.66 4.14 0.59 2.79 2.20 -1.26 -5.10 119.74 123.77 3nek s LYS 323 Ca 0.55 -0.25 -0.12 0.00 -0.36 0.00 0.00 55.97 55.79 3nek s LYS 323 Cb -0.28 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.61 3nek s LYS 323 CO 0.31 0.28 1.02 0.95 -0.36 0.00 0.00 175.35 177.55 3nek s THR 324 N 0.39 4.66 0.40 3.43 -4.23 -1.26 -4.47 115.64 114.55 3nek s THR 324 Ca 0.07 0.96 0.06 0.00 -1.18 0.00 0.00 61.69 61.60 3nek s THR 324 Cb -0.11 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.17 3nek s THR 324 CO -0.01 -1.03 2.05 0.00 -0.54 0.00 0.00 174.62 175.09 3nek h ALA 325 N -0.01 1.67 -0.48 3.99 0.00 -0.26 -2.61 119.26 121.56 3nek h ALA 325 Ca -0.45 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3nek h ALA 325 Cb 1.19 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3nek h ALA 325 CO 0.62 0.30 0.27 1.25 0.00 0.00 0.00 179.25 181.69 3nek h LEU 326 N 0.63 0.42 -0.46 0.00 6.46 -1.72 -3.03 115.31 117.61 3nek h LEU 326 Ca 0.17 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.78 3nek h LEU 326 Cb -0.06 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 3nek h LEU 326 CO -0.04 0.30 -0.77 0.77 -0.62 0.00 0.00 178.44 178.08 3nek h SER 327 N 0.54 0.09 0.00 1.25 4.64 -1.79 -1.48 113.55 116.79 3nek h SER 327 Ca 0.20 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3nek h SER 327 Cb 0.06 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3nek h SER 327 CO -0.11 0.82 0.00 0.29 -0.87 0.00 0.00 176.83 176.96 3nek n LYS 328 N -3.67 0.00 0.00 4.77 5.02 -1.05 -2.16 118.16 121.08 3nek n LYS 328 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3nek n LYS 328 Cb 0.74 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 3nek n LYS 328 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3nek n PHE 330 N 0.56 0.00 -0.36 2.13 3.72 -0.56 -1.78 117.46 121.17 3nek n PHE 330 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3nek n PHE 330 Cb 0.00 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.67 3nek n PHE 330 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3nek h ASN 331 N 0.00 1.06 0.00 4.37 4.21 -1.71 -3.14 115.58 120.37 3nek h ASN 331 Ca 0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3nek h ASN 331 Cb 0.00 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 36.96 3nek h ASN 331 CO 0.00 0.72 0.00 0.00 -1.29 0.00 0.00 177.43 176.86 3nek n ALA 332 N -2.36 2.24 0.00 -0.83 0.00 -0.74 -3.91 120.51 114.90 3nek n ALA 332 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3nek n ALA 332 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3nek n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nek n ALA 334 N 1.59 0.00 0.19 0.00 0.00 -1.19 -3.43 120.51 117.67 3nek n ALA 334 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3nek n ALA 334 Cb 0.17 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.93 3nek n ALA 334 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3nek h LYS 335 N 0.00 0.00 -6.50 0.00 1.79 -1.90 -3.45 116.57 106.51 3nek h LYS 335 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 3nek h LYS 335 Cb 0.00 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.68 3nek h LYS 335 CO 0.00 0.35 0.95 0.08 -1.08 0.00 0.00 179.45 179.75 3nek s VAL 336 N -3.48 2.95 0.00 0.50 1.01 -1.22 -4.80 120.40 115.36 3nek s VAL 336 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3nek s VAL 336 Cb 0.10 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3nek s VAL 336 CO 0.68 0.01 0.67 0.41 0.00 0.00 0.00 175.10 176.87 3nek n THR 337 N 4.47 0.43 -1.76 3.92 -1.04 -0.28 -4.91 114.28 115.12 3nek n THR 337 Ca 0.15 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.05 61.26 3nek n THR 337 Cb 0.40 0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 69.76 3nek n THR 337 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3nek s TYR 338 N -0.43 2.48 -0.17 -1.42 5.04 -1.19 -4.21 117.35 117.45 3nek s TYR 338 Ca 0.00 0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 54.75 3nek s TYR 338 Cb 0.00 -4.12 -0.04 0.00 0.35 0.00 0.00 41.96 38.15 3nek s TYR 338 CO 0.00 -4.47 0.03 0.34 -1.34 0.00 0.00 175.55 170.11 3nek s ASP 339 N 2.08 5.38 0.23 4.32 2.15 0.41 -4.87 116.67 126.38 3nek s ASP 339 Ca 0.77 0.03 -0.05 0.00 0.43 0.00 0.00 52.55 53.73 3nek s ASP 339 Cb -0.46 -1.89 0.24 0.00 -0.30 0.00 0.00 42.92 40.50 3nek s ASP 339 CO 0.34 0.18 1.75 0.40 -0.17 0.00 0.00 175.17 177.67 3nek h ILE 340 N 4.91 1.25 0.00 4.11 2.04 -1.94 -0.89 117.51 126.99 3nek h ILE 340 Ca -0.36 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 3nek h ILE 340 Cb 1.18 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3nek h ILE 340 CO 0.68 0.36 -0.59 0.44 0.00 0.00 0.00 178.15 179.04 3nek h ASP 341 N 0.91 0.00 0.01 1.72 3.32 -1.95 -3.12 116.42 117.31 3nek h ASP 341 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3nek h ASP 341 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3nek h ASP 341 CO 0.01 0.59 -0.81 -0.62 -1.72 0.00 0.00 179.24 176.69 3nek n GLU 342 N -3.77 0.41 -3.98 3.56 -0.58 -1.17 -5.00 120.64 110.11 3nek n GLU 342 Ca -0.01 -0.33 -0.27 0.00 -0.42 0.00 0.00 57.16 56.12 3nek n GLU 342 Cb 0.60 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.97 3nek n GLU 342 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3nek n ALA 343 N -1.01 -1.80 -3.76 0.62 0.00 -0.35 -4.95 120.51 109.27 3nek n ALA 343 Ca 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 3nek n ALA 343 Cb 0.38 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 3nek n ALA 343 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3nek s ASP 344 N -4.06 -0.13 0.00 0.00 2.15 -1.19 -4.99 116.67 108.46 3nek s ASP 344 Ca 0.21 -0.43 0.00 0.00 0.43 0.00 0.00 52.55 52.76 3nek s ASP 344 Cb -0.11 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 3nek s ASP 344 CO 0.88 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 3nek n GLY 345 N -0.51 1.25 3.70 2.66 0.00 -1.26 -0.45 105.19 110.58 3nek n GLY 345 Ca -0.06 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 3nek n GLY 345 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nek s ASP 346 N 0.00 7.23 0.32 1.61 1.01 -1.26 -1.68 116.67 123.90 3nek s ASP 346 Ca 0.00 1.50 0.10 0.00 0.71 0.00 0.00 52.55 54.86 3nek s ASP 346 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 3nek s ASP 346 CO 0.00 -0.30 -0.06 0.68 0.21 0.00 0.00 175.17 175.71 3nek s VAL 347 N 1.35 2.62 -0.21 -1.27 -7.23 -0.23 -1.12 120.40 114.32 3nek s VAL 347 Ca 0.47 -2.10 -0.07 0.00 -1.81 0.00 0.00 61.98 58.47 3nek s VAL 347 Cb -0.19 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 3nek s VAL 347 CO 0.22 -0.26 0.06 -0.63 -0.31 0.00 0.00 175.10 174.18 3nek s ILE 348 N -2.51 4.58 0.23 -0.62 -1.09 -1.26 -1.74 121.20 118.79 3nek s ILE 348 Ca 0.33 -0.10 0.11 0.00 -2.23 0.00 0.00 60.65 58.76 3nek s ILE 348 Cb -0.01 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 3nek s ILE 348 CO 0.18 0.41 -0.14 0.68 -1.23 0.00 0.00 174.94 174.84 3nek s VAL 349 N 0.84 2.84 0.49 2.92 -7.23 -0.30 -0.94 120.40 119.02 3nek s VAL 349 Ca 0.03 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.09 3nek s VAL 349 Cb -0.14 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 3nek s VAL 349 CO 0.02 -0.25 0.85 0.20 -0.31 0.00 0.00 175.10 175.61 3nek s ASN 350 N -3.17 6.36 -0.09 4.85 0.01 0.23 -1.62 114.94 121.50 3nek s ASN 350 Ca 0.27 1.15 0.01 0.00 -0.71 0.00 0.00 52.86 53.58 3nek s ASN 350 Cb -0.07 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.27 3nek s ASN 350 CO 0.15 -0.59 -0.12 0.42 -1.51 0.00 0.00 177.10 175.45 3nek s THR 351 N -2.72 1.20 0.14 1.60 -4.23 -1.26 -2.74 115.64 107.62 3nek s THR 351 Ca 0.51 -0.47 0.09 0.00 -1.18 0.00 0.00 61.69 60.64 3nek s THR 351 Cb -0.10 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 3nek s THR 351 CO 0.42 0.38 -0.22 0.00 -0.54 0.00 0.00 174.62 174.66 3nek s ALA 352 N 1.04 2.07 -0.05 3.99 0.00 0.11 -2.76 121.76 126.15 3nek s ALA 352 Ca -0.07 -1.42 0.06 0.00 0.00 0.00 0.00 51.96 50.53 3nek s ALA 352 Cb -0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3nek s ALA 352 CO -0.01 0.36 -0.23 -0.06 0.00 0.00 0.00 175.76 175.82 3nek s PHE 353 N -1.49 2.25 0.08 0.00 0.08 0.78 -0.00 117.98 119.68 3nek s PHE 353 Ca 0.13 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.56 3nek s PHE 353 Cb -0.08 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3nek s PHE 353 CO 0.06 -0.20 -0.11 0.96 -0.10 0.00 0.00 175.22 175.84 3nek s ILE 354 N -0.14 0.92 0.70 0.64 -4.36 -0.91 0.14 121.20 118.19 3nek s ILE 354 Ca -0.03 -1.49 -0.15 0.00 -0.26 0.00 0.00 60.65 58.72 3nek s ILE 354 Cb -0.13 -1.19 0.02 0.00 1.25 0.00 0.00 42.46 42.41 3nek s ILE 354 CO 0.03 -0.46 1.15 -1.81 0.24 0.00 0.00 174.94 174.09 3nek s ASP 355 N -2.17 4.66 0.14 4.36 1.11 -1.26 0.34 116.67 123.86 3nek s ASP 355 Ca 0.02 2.16 0.24 0.00 0.18 0.00 0.00 52.55 55.14 3nek s ASP 355 Cb -0.05 -2.57 0.91 0.00 1.07 0.00 0.00 42.92 42.28 3nek s ASP 355 CO 0.01 -1.94 1.73 2.29 1.18 0.00 0.00 175.17 178.44 3nek n LYS 356 N -2.58 0.14 -0.35 8.23 2.85 -1.26 -2.66 118.16 122.52 3nek n LYS 356 Ca 0.12 0.24 0.10 0.00 -1.05 0.00 0.00 58.31 57.72 3nek n LYS 356 Cb 0.51 -1.71 0.28 0.00 -0.65 0.00 0.00 35.03 33.47 3nek n LYS 356 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3nek h LYS 357 N 0.00 0.86 -0.62 -1.58 1.57 -1.93 -2.99 116.57 111.87 3nek h LYS 357 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3nek h LYS 357 Cb 0.48 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3nek h LYS 357 CO 0.00 0.57 0.00 0.66 -0.57 0.00 0.00 179.45 180.11 3nek n TYR 358 N -4.68 1.12 -0.19 -1.35 4.01 -1.09 -4.46 117.16 110.53 3nek n TYR 358 Ca 0.21 -0.47 -0.04 0.00 -0.16 0.00 0.00 57.90 57.44 3nek n TYR 358 Cb 0.46 -0.15 0.06 0.00 -0.31 0.00 0.00 39.34 39.39 3nek n TYR 358 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3nek h LEU 359 N 3.43 0.52 0.01 7.72 7.12 -1.69 -1.22 115.31 131.21 3nek h LEU 359 Ca 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 3nek h LEU 359 Cb 1.12 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 3nek h LEU 359 CO 0.14 0.35 -0.01 -0.78 -0.13 0.00 0.00 178.44 178.02 3nek h ASP 360 N 0.64 -0.02 -0.72 1.25 1.82 -1.84 -2.59 116.42 114.97 3nek h ASP 360 Ca 0.24 -0.36 -0.05 0.00 -0.39 0.00 0.00 57.03 56.47 3nek h ASP 360 Cb 0.07 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.06 3nek h ASP 360 CO -0.13 0.35 0.26 -0.33 -1.61 0.00 0.00 179.24 177.79 3nek h GLU 361 N -0.39 1.09 -0.48 0.28 3.07 -1.86 -3.12 114.58 113.18 3nek h GLU 361 Ca -0.00 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.51 3nek h GLU 361 Cb 0.37 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3nek h GLU 361 CO 0.00 0.91 -0.23 0.00 -1.40 0.00 0.00 179.01 178.29 3nek h ALA 362 N 1.12 0.67 -0.96 3.43 0.00 -1.19 -2.39 119.26 119.95 3nek h ALA 362 Ca 0.24 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3nek h ALA 362 Cb 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3nek h ALA 362 CO -0.01 0.67 0.60 0.35 0.00 0.00 0.00 179.25 180.86 3nek h PHE 363 N 0.85 1.24 -0.62 0.00 3.57 -1.48 0.13 116.94 120.64 3nek h PHE 363 Ca 0.11 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 3nek h PHE 363 Cb 0.82 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3nek h PHE 363 CO 0.05 0.81 0.04 0.22 -2.23 0.00 0.00 178.31 177.20 3nek h ASP 364 N 1.31 1.01 -0.10 0.41 3.58 -1.45 -0.08 116.42 121.10 3nek h ASP 364 Ca 0.35 -0.26 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 3nek h ASP 364 Cb -0.09 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.69 3nek h ASP 364 CO -0.07 1.04 -0.25 0.40 -2.88 0.00 0.00 179.24 177.48 3nek h ILE 365 N 0.97 1.40 -0.65 2.25 2.04 -1.10 -2.13 117.51 120.29 3nek h ILE 365 Ca 0.18 -1.57 0.06 0.00 1.00 0.00 0.00 64.86 64.54 3nek h ILE 365 Cb 0.50 2.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 3nek h ILE 365 CO 0.02 0.45 0.35 -0.07 0.00 0.00 0.00 178.15 178.90 3nek h LEU 366 N -0.10 0.49 -0.63 1.44 4.07 -0.76 0.29 115.31 120.11 3nek h LEU 366 Ca -0.00 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.03 3nek h LEU 366 Cb 0.86 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.50 3nek h LEU 366 CO 0.05 0.31 0.38 0.11 -1.08 0.00 0.00 178.44 178.22 3nek h LYS 367 N 0.63 0.73 -0.53 1.13 1.57 -1.00 -1.63 116.57 117.47 3nek h LYS 367 Ca 0.30 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3nek h LYS 367 Cb 0.22 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3nek h LYS 367 CO -0.20 0.48 -0.10 0.93 -0.57 0.00 0.00 179.45 179.99 3nek h GLU 368 N 0.75 0.99 -0.18 3.15 4.39 -0.68 -0.57 114.58 122.42 3nek h GLU 368 Ca 0.26 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3nek h GLU 368 Cb 0.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3nek h GLU 368 CO -0.12 1.03 0.11 0.00 -1.16 0.00 0.00 179.01 178.88 3nek h ALA 369 N 0.99 0.23 0.00 3.43 0.00 -0.22 -0.87 119.26 122.82 3nek h ALA 369 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3nek h ALA 369 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3nek h ALA 369 CO 0.05 -0.26 -0.18 1.88 0.00 0.00 0.00 179.25 180.73 3nek h TYR 370 N 0.22 0.00 -0.29 0.00 0.05 -1.20 -1.89 116.97 113.86 3nek h TYR 370 Ca 0.07 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.72 3nek h TYR 370 Cb 0.02 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3nek h TYR 370 CO -0.05 0.18 -0.31 0.87 -1.05 0.00 0.00 178.16 177.80 3nek h LYS 371 N 0.00 0.72 -0.05 4.88 1.57 -0.81 -3.08 116.57 119.80 3nek h LYS 371 Ca -0.00 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3nek h LYS 371 Cb 0.71 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3nek h LYS 371 CO 0.02 1.01 0.00 1.63 -0.57 0.00 0.00 179.45 181.54 3nek n LYS 372 N -4.24 0.66 -0.93 3.15 5.02 -0.36 -4.82 118.16 116.64 3nek n LYS 372 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3nek n LYS 372 Cb 0.49 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 3nek n LYS 372 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3nek n GLY 373 N 0.16 0.64 3.79 0.72 0.00 -1.14 -5.01 105.19 104.36 3nek n GLY 373 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3nek n GLY 373 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nek s LEU 374 N 0.00 3.39 0.16 0.99 1.43 -0.77 -4.60 118.68 119.28 3nek s LEU 374 Ca 0.00 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 3nek s LEU 374 Cb 0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 3nek s LEU 374 CO 0.00 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.77 3nek n GLY 375 N -0.92 -2.41 3.72 -3.19 0.00 -1.26 -4.21 105.19 96.91 3nek n GLY 375 Ca 0.09 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 3nek n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nek s ILE 376 N -2.75 5.38 0.02 -0.61 1.01 -1.26 -4.19 121.20 118.79 3nek s ILE 376 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3nek s ILE 376 Cb 0.00 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3nek s ILE 376 CO 0.00 0.42 0.00 -1.54 0.00 0.00 0.00 174.94 173.82 3nek n SER 377 N 3.62 -1.74 -0.43 3.58 3.41 -0.13 -4.54 113.62 117.39 3nek n SER 377 Ca -0.15 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.64 3nek n SER 377 Cb 0.52 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3nek n SER 377 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3nek n ASP 378 N -0.45 1.81 -4.54 4.04 5.75 -1.26 -4.52 116.55 117.38 3nek n ASP 378 Ca 0.00 -1.40 -0.32 0.00 -0.01 0.00 0.00 54.79 53.05 3nek n ASP 378 Cb 0.04 0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 40.44 3nek n ASP 378 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3nek s ARG 379 N -1.99 2.50 0.04 0.11 6.06 -1.26 -2.56 118.95 121.84 3nek s ARG 379 Ca 0.15 -0.72 -0.09 0.00 -2.50 0.00 0.00 55.73 52.57 3nek s ARG 379 Cb 0.14 -2.44 0.00 0.00 0.06 0.00 0.00 34.95 32.72 3nek s ARG 379 CO 0.42 0.61 0.19 -0.59 -2.50 0.00 0.00 175.30 173.43 3nek s PHE 380 N -0.88 0.06 0.04 5.12 -0.71 -0.09 -4.71 117.98 116.80 3nek s PHE 380 Ca 0.14 -0.26 -0.18 0.00 -1.04 0.00 0.00 56.93 55.58 3nek s PHE 380 Cb -0.11 -0.03 -0.06 0.00 -1.21 0.00 0.00 43.02 41.61 3nek s PHE 380 CO 0.04 -0.42 0.53 0.20 -1.34 0.00 0.00 175.22 174.24 3nek s GLY 381 N -2.02 2.61 -0.38 1.99 0.00 -0.09 0.02 107.32 109.45 3nek s GLY 381 Ca -0.06 -0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.65 3nek s GLY 381 CO -0.03 0.45 0.33 -1.50 0.00 0.00 0.00 173.10 172.35 3nek s ILE 382 N -0.88 -0.05 -0.16 0.90 2.07 -1.26 -1.06 121.20 120.76 3nek s ILE 382 Ca 0.28 -1.64 -0.08 0.00 -1.41 0.00 0.00 60.65 57.80 3nek s ILE 382 Cb -0.18 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 3nek s ILE 382 CO 0.17 -0.85 0.12 -0.69 -1.91 0.00 0.00 174.94 171.78 3nek s VAL 383 N 0.93 5.32 -0.44 4.00 1.01 -0.56 -4.98 120.40 125.69 3nek s VAL 383 Ca 0.22 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 3nek s VAL 383 Cb -0.12 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3nek s VAL 383 CO -0.06 0.53 1.70 -0.70 0.00 0.00 0.00 175.10 176.58 3nek s GLU 384 N -0.33 3.20 0.29 2.72 2.56 -1.26 -2.08 118.70 123.80 3nek s GLU 384 Ca 0.11 1.03 0.01 0.00 0.00 0.00 0.00 54.97 56.12 3nek s GLU 384 Cb -0.12 -4.20 0.06 0.00 2.00 0.00 0.00 34.13 31.87 3nek s GLU 384 CO 0.01 -2.02 0.39 -1.91 -0.56 0.00 0.00 175.26 171.17 3nek n GLU 385 N 8.57 0.45 0.12 4.30 4.07 -1.05 -4.97 120.64 132.13 3nek n GLU 385 Ca 0.20 -1.17 -0.05 0.00 -0.06 0.00 0.00 57.16 56.08 3nek n GLU 385 Cb 0.49 -0.23 -0.02 0.00 -0.06 0.00 0.00 31.44 31.61 3nek n GLU 385 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 3nek h ASN 386 N -0.17 -0.26 -0.00 4.31 -0.00 -2.02 -3.39 115.58 114.04 3nek h ASN 386 Ca -0.13 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.18 3nek h ASN 386 Cb 0.51 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.90 3nek h ASN 386 CO 0.15 -0.18 -0.02 -0.90 -0.00 0.00 0.00 177.43 176.48 3nek n ASP 387 N -2.86 0.80 -3.90 1.15 3.85 -1.26 -5.05 116.55 109.29 3nek n ASP 387 Ca -0.04 -0.90 -0.24 0.00 -0.71 0.00 0.00 54.79 52.90 3nek n ASP 387 Cb 0.12 0.30 -0.08 0.00 -1.35 0.00 0.00 41.12 40.11 3nek n ASP 387 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3nek s ARG 388 N -0.42 1.89 -0.15 0.11 1.70 -1.26 -4.20 118.95 116.63 3nek s ARG 388 Ca 0.01 -2.14 0.02 0.00 -0.47 0.00 0.00 55.73 53.15 3nek s ARG 388 Cb 0.01 -0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.06 3nek s ARG 388 CO 0.03 -0.54 -0.21 0.42 -1.08 0.00 0.00 175.30 173.92 3nek s ILE 389 N -3.28 2.10 -0.10 4.99 -1.09 0.15 -2.53 121.20 121.44 3nek s ILE 389 Ca 0.28 -0.96 -0.24 0.00 -2.23 0.00 0.00 60.65 57.50 3nek s ILE 389 Cb 0.02 -1.84 -0.03 0.00 -1.58 0.00 0.00 42.46 39.03 3nek s ILE 389 CO 0.18 0.55 0.72 -0.75 -1.23 0.00 0.00 174.94 174.41 3nek s LYS 390 N 0.87 4.38 -0.13 2.79 2.20 -0.88 -2.14 119.74 126.83 3nek s LYS 390 Ca -0.05 0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 56.42 3nek s LYS 390 Cb -0.15 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 3nek s LYS 390 CO -0.03 -0.05 -0.07 0.42 -0.36 0.00 0.00 175.35 175.25 3nek s ILE 391 N 1.21 3.58 -0.12 5.43 1.01 1.00 -1.50 121.20 131.81 3nek s ILE 391 Ca 0.37 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3nek s ILE 391 Cb -0.17 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3nek s ILE 391 CO 0.16 0.53 -0.19 -1.10 0.00 0.00 0.00 174.94 174.34 3nek s GLN 392 N 0.11 2.63 0.02 2.79 -0.21 -0.23 -0.72 119.66 124.06 3nek s GLN 392 Ca -0.03 -0.72 0.07 0.00 0.02 0.00 0.00 55.36 54.71 3nek s GLN 392 Cb -0.14 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.69 3nek s GLN 392 CO 0.03 -0.02 -0.22 0.95 -2.12 0.00 0.00 175.29 173.91 3nek s THR 393 N 0.85 1.77 0.08 -0.19 -4.23 -1.11 -0.91 115.64 111.90 3nek s THR 393 Ca -0.08 -1.11 -0.30 0.00 -1.18 0.00 0.00 61.69 59.01 3nek s THR 393 Cb -0.15 -1.50 -0.06 0.00 1.34 0.00 0.00 72.50 72.12 3nek s THR 393 CO -0.01 0.36 1.17 -0.63 -0.54 0.00 0.00 174.62 174.97 3nek s ILE 394 N -0.67 4.05 0.66 2.99 1.01 -1.26 0.78 121.20 128.76 3nek s ILE 394 Ca 0.09 1.51 -0.11 0.00 0.00 0.00 0.00 60.65 62.14 3nek s ILE 394 Cb -0.09 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3nek s ILE 394 CO 0.01 0.14 1.05 0.00 0.00 0.00 0.00 174.94 176.14 3nek h ALA 396 N -0.49 1.47 0.00 0.00 0.00 -1.96 -2.51 119.26 115.77 3nek h ALA 396 Ca -0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3nek h ALA 396 Cb 1.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3nek h ALA 396 CO 0.58 0.22 -0.00 -0.24 0.00 0.00 0.00 179.25 179.81 3nek h VAL 397 N 0.00 0.12 -0.30 0.00 3.04 -1.93 0.64 116.25 117.81 3nek h VAL 397 Ca -0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.63 3nek h VAL 397 Cb 0.36 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 3nek h VAL 397 CO 0.02 0.00 0.09 0.74 -1.01 0.00 0.00 177.57 177.41 3nek h THR 398 N 0.00 1.21 -0.18 3.17 2.02 -1.73 -1.63 112.91 115.77 3nek h THR 398 Ca -0.00 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.56 3nek h THR 398 Cb 0.03 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3nek h THR 398 CO 0.00 0.22 -0.13 -0.07 0.37 0.00 0.00 175.52 175.91 3nek h LEU 399 N 0.32 -0.43 -0.38 2.58 4.07 -1.04 0.22 115.31 120.65 3nek h LEU 399 Ca 0.10 0.09 0.08 0.00 0.08 0.00 0.00 57.88 58.23 3nek h LEU 399 Cb 0.26 0.22 -0.09 0.00 1.08 0.00 0.00 40.66 42.13 3nek h LEU 399 CO -0.00 -0.17 -0.21 0.44 -1.08 0.00 0.00 178.44 177.42 3nek h ASP 400 N -0.14 -0.71 -0.31 -0.43 3.32 -1.36 -0.25 116.42 116.54 3nek h ASP 400 Ca 0.11 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.35 3nek h ASP 400 Cb 0.30 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3nek h ASP 400 CO -0.26 -0.24 0.11 1.23 -1.72 0.00 0.00 179.24 178.36 3nek h GLY 401 N -0.15 0.40 0.76 2.75 0.00 -0.76 -1.28 103.07 104.79 3nek h GLY 401 Ca 0.19 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.51 3nek h GLY 401 CO -0.47 0.03 0.58 -2.22 0.00 0.00 0.00 176.54 174.46 3nek h ILE 402 N 0.25 1.08 -0.29 2.60 2.04 -0.07 -2.70 117.51 120.42 3nek h ILE 402 Ca 0.14 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.46 3nek h ILE 402 Cb 0.11 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3nek h ILE 402 CO -0.14 0.20 -0.49 -0.26 0.00 0.00 0.00 178.15 177.46 3nek h PHE 403 N 1.07 0.99 -0.30 1.37 0.04 -0.61 -3.11 116.94 116.39 3nek h PHE 403 Ca 0.39 -0.33 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 3nek h PHE 403 Cb 0.13 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 3nek h PHE 403 CO -0.02 1.13 -0.05 1.25 -0.60 0.00 0.00 178.31 180.02 3nek h LEU 404 N 0.63 0.45 -0.38 1.54 5.85 -1.09 0.14 115.31 122.47 3nek h LEU 404 Ca 0.03 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3nek h LEU 404 Cb 1.07 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3nek h LEU 404 CO 0.11 0.56 0.00 0.54 -0.34 0.00 0.00 178.44 179.31 3nek n ARG 405 N -4.26 0.18 -0.63 1.25 1.74 -1.03 -1.86 116.66 112.04 3nek n ARG 405 Ca 0.01 0.32 0.04 0.00 -0.77 0.00 0.00 57.85 57.44 3nek n ARG 405 Cb 0.27 -1.79 0.27 0.00 -1.02 0.00 0.00 32.46 30.19 3nek n ARG 405 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3nek n ASN 406 N -2.12 3.91 -2.59 0.55 4.13 -0.89 -4.96 115.26 113.29 3nek n ASN 406 Ca 0.04 -3.19 -0.20 0.00 1.68 0.00 0.00 54.58 52.91 3nek n ASN 406 Cb 0.29 -0.60 0.02 0.00 -1.54 0.00 0.00 39.78 37.94 3nek n ASN 406 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3nek n SER 407 N -0.50 -5.78 -4.07 6.41 7.64 -0.78 -4.98 113.62 111.57 3nek n SER 407 Ca 0.27 -0.16 -0.35 0.00 1.01 0.00 0.00 58.87 59.64 3nek n SER 407 Cb 1.02 -4.69 -0.10 0.00 -1.01 0.00 0.00 64.21 59.43 3nek n SER 407 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3nek s VAL 408 N -3.08 3.56 -0.08 0.44 1.01 0.45 -4.99 120.40 117.72 3nek s VAL 408 Ca 0.16 -3.14 -0.29 0.00 0.00 0.00 0.00 61.98 58.71 3nek s VAL 408 Cb -0.07 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 3nek s VAL 408 CO 0.20 -0.89 1.77 -2.16 0.00 0.00 0.00 175.10 174.03 3nek s PRO 409 N -0.26 4.01 -0.19 2.72 0.04 -1.26 -3.51 135.00 136.55 3nek s PRO 409 Ca 0.18 2.18 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 3nek s PRO 409 Cb -0.20 -4.07 0.01 0.00 0.04 0.00 0.00 34.50 30.27 3nek s PRO 409 CO -0.04 -1.07 -0.14 -1.17 0.04 0.00 0.00 177.00 174.63 3nek s LEU 410 N 4.73 2.46 -0.36 -3.56 2.96 -1.26 -4.49 118.68 119.16 3nek s LEU 410 Ca 0.79 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 54.04 3nek s LEU 410 Cb -0.34 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 3nek s LEU 410 CO 0.33 0.02 0.28 -0.63 -1.32 0.00 0.00 176.35 175.03 3nek s ILE 411 N 1.23 5.25 0.17 6.68 1.09 -0.39 -4.94 121.20 130.30 3nek s ILE 411 Ca 0.03 -0.30 -0.30 0.00 -1.10 0.00 0.00 60.65 58.97 3nek s ILE 411 Cb -0.14 -3.80 -0.08 0.00 -1.06 0.00 0.00 42.46 37.37 3nek s ILE 411 CO -0.07 -0.12 1.28 -2.84 -0.10 0.00 0.00 174.94 173.10 3nek s PRO 412 N 1.77 4.41 0.03 2.79 0.02 -1.26 -0.50 135.00 142.27 3nek s PRO 412 Ca 0.07 1.99 -0.04 0.00 0.02 0.00 0.00 61.00 63.04 3nek s PRO 412 Cb -0.18 -3.22 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 3nek s PRO 412 CO 0.11 -0.24 -0.07 1.63 -0.33 0.00 0.00 177.00 178.10 3nek n LYS 413 N 2.85 0.11 -4.12 5.54 4.76 0.55 -4.80 118.16 123.04 3nek n LYS 413 Ca 0.07 0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 3nek n LYS 413 Cb 0.43 -0.65 -0.12 0.00 -1.84 0.00 0.00 35.03 32.86 3nek n LYS 413 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3nek s TYR 414 N -2.08 0.95 -0.03 2.13 2.02 -1.05 -0.95 117.35 118.33 3nek s TYR 414 Ca -0.06 -0.50 0.07 0.00 -0.37 0.00 0.00 57.07 56.22 3nek s TYR 414 Cb 0.01 -0.54 -0.02 0.00 -0.40 0.00 0.00 41.96 41.01 3nek s TYR 414 CO 0.09 -0.01 -0.25 0.20 -1.57 0.00 0.00 175.55 174.00 3nek s GLY 415 N -1.73 1.24 0.00 0.71 0.00 -0.27 -0.03 107.32 107.24 3nek s GLY 415 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.60 3nek s GLY 415 CO 0.01 -0.82 0.00 0.61 0.00 0.00 0.00 173.10 172.90 3nek n GLY 416 N 2.61 1.79 3.48 0.20 0.00 -0.19 -0.79 105.19 112.30 3nek n GLY 416 Ca -0.16 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 3nek n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nek s ILE 417 N -2.35 4.34 -0.27 -0.61 1.01 -0.44 -1.52 121.20 121.36 3nek s ILE 417 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 3nek s ILE 417 Cb 0.00 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 3nek s ILE 417 CO 0.00 0.38 0.17 -0.22 0.00 0.00 0.00 174.94 175.26 3nek s LEU 418 N 1.27 3.93 -0.26 2.97 0.20 0.11 -0.86 118.68 126.04 3nek s LEU 418 Ca 0.05 -0.03 -0.13 0.00 0.69 0.00 0.00 54.13 54.70 3nek s LEU 418 Cb -0.15 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.49 3nek s LEU 418 CO 0.03 -0.04 0.30 -0.70 -0.29 0.00 0.00 176.35 175.65 3nek s GLU 419 N 1.67 4.03 -0.55 1.98 2.12 0.18 -0.90 118.70 127.22 3nek s GLU 419 Ca 0.07 -0.08 -0.05 0.00 0.36 0.00 0.00 54.97 55.27 3nek s GLU 419 Cb -0.16 -3.62 0.14 0.00 0.26 0.00 0.00 34.13 30.75 3nek s GLU 419 CO 0.09 -0.17 0.38 0.42 -0.54 0.00 0.00 175.26 175.44 3nek s ILE 420 N 1.73 3.79 0.00 -3.70 1.01 0.09 -1.74 121.20 122.37 3nek s ILE 420 Ca 0.12 -2.48 0.00 0.00 0.00 0.00 0.00 60.65 58.29 3nek s ILE 420 Cb -0.15 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3nek s ILE 420 CO 0.09 -0.82 0.00 0.41 0.00 0.00 0.00 174.94 174.62 3nek n THR 421 N 4.07 0.00 -0.05 2.92 -1.04 -0.66 -4.66 114.28 114.85 3nek n THR 421 Ca 0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.96 3nek n THR 421 Cb 0.40 -0.20 -0.02 0.00 -1.82 0.00 0.00 70.33 68.69 3nek n THR 421 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3nek h GLU 422 N 0.00 -0.05 0.00 -2.82 4.39 -1.99 -3.35 114.58 110.75 3nek h GLU 422 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3nek h GLU 422 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3nek h GLU 422 CO 0.00 -0.04 0.00 -3.47 -1.16 0.00 0.00 179.01 174.34 3nek n ASP 423 N -5.26 0.09 -4.50 1.42 -0.08 -1.26 -5.07 116.55 101.89 3nek n ASP 423 Ca -0.01 -0.39 -0.33 0.00 -1.51 0.00 0.00 54.79 52.55 3nek n ASP 423 Cb 0.18 0.35 -0.13 0.00 2.34 0.00 0.00 41.12 43.86 3nek n ASP 423 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3nek s LYS 424 N -0.35 2.78 -0.39 -0.67 1.02 -1.26 -5.07 119.74 115.80 3nek s LYS 424 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.39 3nek s LYS 424 Cb 0.00 -2.52 0.11 0.00 -0.52 0.00 0.00 37.83 34.90 3nek s LYS 424 CO 0.00 0.56 0.14 -1.21 -0.92 0.00 0.00 175.35 173.93 3nek s GLU 425 N -0.55 1.37 -0.05 1.68 2.02 -1.26 -1.66 118.70 120.25 3nek s GLU 425 Ca 0.08 -1.88 -0.09 0.00 0.02 0.00 0.00 54.97 53.09 3nek s GLU 425 Cb -0.12 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.36 3nek s GLU 425 CO 0.02 -1.03 0.22 -0.98 0.02 0.00 0.00 175.26 173.51 3nek s ARG 426 N 0.70 0.41 0.20 1.61 1.70 -0.71 -4.43 118.95 118.43 3nek s ARG 426 Ca 0.13 0.02 -0.30 0.00 -0.47 0.00 0.00 55.73 55.11 3nek s ARG 426 Cb -0.21 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.27 3nek s ARG 426 CO -0.08 -0.09 1.28 -0.06 -1.08 0.00 0.00 175.30 175.26 3nek s PHE 427 N -0.60 3.30 -0.04 5.89 0.40 -0.52 0.47 117.98 126.88 3nek s PHE 427 Ca -0.07 1.30 0.14 0.00 -0.60 0.00 0.00 56.93 57.70 3nek s PHE 427 Cb -0.04 -3.55 -0.22 0.00 0.51 0.00 0.00 43.02 39.72 3nek s PHE 427 CO 0.01 -1.67 0.27 0.44 0.70 0.00 0.00 175.22 174.97 3nek n ILE 428 N 2.46 0.19 -3.70 0.64 -5.35 -0.04 -4.89 119.36 108.67 3nek n ILE 428 Ca 0.05 -0.39 -0.14 0.00 -0.27 0.00 0.00 62.75 62.01 3nek n ILE 428 Cb 0.43 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.24 3nek n ILE 428 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3nek s ASP 429 N -3.89 -0.49 0.06 7.28 1.01 -1.25 -5.02 116.67 114.37 3nek s ASP 429 Ca -0.06 0.90 -0.05 0.00 0.71 0.00 0.00 52.55 54.06 3nek s ASP 429 Cb 0.08 0.92 -0.02 0.00 1.01 0.00 0.00 42.92 44.91 3nek s ASP 429 CO 0.60 -0.22 0.07 0.27 0.21 0.00 0.00 175.17 176.11 3nek s ILE 430 N 0.05 0.17 -0.03 0.77 -4.36 -1.26 -1.32 121.20 115.22 3nek s ILE 430 Ca -0.02 -1.42 0.03 0.00 -0.26 0.00 0.00 60.65 58.99 3nek s ILE 430 Cb -0.03 -1.28 -0.00 0.00 1.25 0.00 0.00 42.46 42.39 3nek s ILE 430 CO 0.01 -0.78 -0.11 -0.63 0.24 0.00 0.00 174.94 173.67 3nek s ILE 431 N -3.54 0.94 0.13 8.37 1.01 0.03 -4.98 121.20 123.17 3nek s ILE 431 Ca 0.03 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3nek s ILE 431 Cb 0.04 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.63 3nek s ILE 431 CO -0.09 0.28 0.97 -0.83 0.00 0.00 0.00 174.94 175.28 3nek s GLY 432 N 0.06 3.00 0.25 6.18 0.00 -1.26 -1.11 107.32 114.44 3nek s GLY 432 Ca -0.02 0.60 -0.02 0.00 0.00 0.00 0.00 44.72 45.28 3nek s GLY 432 CO 0.01 1.45 1.72 -0.97 0.00 0.00 0.00 173.10 175.31 3nek h TYR 433 N 5.39 0.84 0.00 1.90 0.05 -1.36 -3.17 116.97 120.63 3nek h TYR 433 Ca -0.43 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.21 3nek h TYR 433 Cb 1.21 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.73 3nek h TYR 433 CO 0.64 0.81 0.00 -0.40 -1.05 0.00 0.00 178.16 178.17 3nek n ASP 434 N -4.19 0.46 -0.25 3.88 5.75 -1.26 -2.41 116.55 118.54 3nek n ASP 434 Ca 0.02 0.55 0.03 0.00 -0.01 0.00 0.00 54.79 55.38 3nek n ASP 434 Cb 0.34 -0.67 0.04 0.00 -1.03 0.00 0.00 41.12 39.79 3nek n ASP 434 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nek n GLY 435 N 1.16 0.08 3.26 6.12 0.00 -1.23 -4.91 105.19 109.67 3nek n GLY 435 Ca 0.06 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3nek n GLY 435 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nek s SER 436 N -0.60 2.59 -0.02 1.61 0.01 -1.19 -5.01 113.70 111.08 3nek s SER 436 Ca 0.08 -0.51 0.20 0.00 1.31 0.00 0.00 55.95 57.03 3nek s SER 436 Cb 0.05 -0.23 0.62 0.00 0.21 0.00 0.00 66.02 66.67 3nek s SER 436 CO 0.07 0.20 1.52 -1.54 0.41 0.00 0.00 173.24 173.89 3nek n SER 437 N 1.97 3.81 -4.63 2.44 3.41 -1.26 0.15 113.62 119.51 3nek n SER 437 Ca -0.17 -2.07 -0.28 0.00 -0.26 0.00 0.00 58.87 56.10 3nek n SER 437 Cb 0.53 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 3nek n SER 437 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3nek s LEU 438 N -1.13 3.19 -0.20 1.04 1.43 -1.26 -4.79 118.68 116.96 3nek s LEU 438 Ca 0.46 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 3nek s LEU 438 Cb 0.25 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3nek s LEU 438 CO 0.30 0.12 1.11 -0.62 0.23 0.00 0.00 176.35 177.49 3nek s ASP 439 N -2.70 7.06 0.43 2.29 -1.08 -1.26 -4.72 116.67 116.69 3nek s ASP 439 Ca 0.25 1.49 0.10 0.00 -0.52 0.00 0.00 52.55 53.88 3nek s ASP 439 Cb -0.10 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.78 3nek s ASP 439 CO 0.17 -0.69 2.05 -0.65 0.52 0.00 0.00 175.17 176.57 3nek h PRO 440 N 7.67 0.31 0.00 4.34 0.11 -1.93 -1.42 132.00 141.08 3nek h PRO 440 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3nek h PRO 440 Cb 1.08 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3nek h PRO 440 CO 0.97 0.26 0.00 0.45 -0.21 0.00 0.00 178.00 179.47 3nek h HIS 441 N 0.31 0.00 0.00 0.65 3.86 -1.92 -2.31 115.15 115.74 3nek h HIS 441 Ca 0.08 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.11 3nek h HIS 441 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3nek h HIS 441 CO 0.00 0.00 -0.83 1.49 0.86 0.00 0.00 177.93 179.45 3nek h GLU 442 N 0.00 0.02 0.19 2.45 4.81 -1.66 -1.38 114.58 119.00 3nek h GLU 442 Ca 0.00 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.92 3nek h GLU 442 Cb 0.49 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.91 3nek h GLU 442 CO 0.00 0.83 -1.24 0.28 -0.73 0.00 0.00 179.01 178.16 3nek h VAL 443 N 0.01 1.34 -0.28 0.32 2.07 -1.45 -3.37 116.25 114.89 3nek h VAL 443 Ca -0.01 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.93 3nek h VAL 443 Cb 1.46 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 34.21 3nek h VAL 443 CO 0.11 0.77 0.00 0.49 0.02 0.00 0.00 177.57 178.95 3nek n PHE 444 N -3.85 0.35 -0.16 1.57 3.72 -0.91 -4.46 117.46 113.71 3nek n PHE 444 Ca -0.15 -0.18 -0.07 0.00 -0.05 0.00 0.00 57.45 57.00 3nek n PHE 444 Cb 1.00 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.55 3nek n PHE 444 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3nek h PHE 445 N 3.52 0.62 0.00 1.38 3.57 -1.42 -2.56 116.94 122.05 3nek h PHE 445 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3nek h PHE 445 Cb 0.77 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.31 3nek h PHE 445 CO 0.18 0.39 0.00 0.09 -2.23 0.00 0.00 178.31 176.74 3nek n ASN 446 N -4.74 0.00 -0.80 0.41 3.02 -1.26 -3.69 115.26 108.19 3nek n ASN 446 Ca 0.02 -0.17 0.09 0.00 -0.03 0.00 0.00 54.58 54.49 3nek n ASN 446 Cb 0.03 -0.25 0.25 0.00 -0.61 0.00 0.00 39.78 39.19 3nek n ASN 446 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3nek n PHE 447 N -1.25 0.84 -4.58 3.10 3.01 -0.96 -4.96 117.46 112.65 3nek n PHE 447 Ca 0.13 -0.89 -0.23 0.00 1.01 0.00 0.00 57.45 57.47 3nek n PHE 447 Cb 0.19 -0.29 -0.14 0.00 -0.01 0.00 0.00 39.48 39.22 3nek n PHE 447 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3nek s VAL 448 N -2.82 1.31 -0.42 -4.37 -7.23 -1.24 -4.97 120.40 100.66 3nek s VAL 448 Ca 0.41 -0.92 0.11 0.00 -1.81 0.00 0.00 61.98 59.77 3nek s VAL 448 Cb 0.33 -1.13 -0.13 0.00 0.56 0.00 0.00 36.38 36.01 3nek s VAL 448 CO 0.08 0.19 0.43 -0.90 -0.31 0.00 0.00 175.10 174.59 3nek n ASP 449 N 2.20 0.91 -1.91 4.85 5.68 -1.24 -5.01 116.55 122.03 3nek n ASP 449 Ca -0.16 -0.61 -0.18 0.00 -0.50 0.00 0.00 54.79 53.34 3nek n ASP 449 Cb 0.54 1.11 -0.02 0.00 -1.14 0.00 0.00 41.12 41.61 3nek n ASP 449 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3nek n GLU 451 N -2.68 0.00 -0.05 0.00 2.13 -1.26 -4.88 120.64 113.90 3nek n GLU 451 Ca -0.21 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.56 3nek n GLU 451 Cb 0.65 -0.52 -0.08 0.00 0.27 0.00 0.00 31.44 31.76 3nek n GLU 451 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3nek n LYS 452 N -2.62 2.08 -4.85 5.31 4.76 -1.26 -4.92 118.16 116.67 3nek n LYS 452 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.17 3nek n LYS 452 Cb 0.34 -1.27 -0.15 0.00 -1.84 0.00 0.00 35.03 32.12 3nek n LYS 452 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3nek s THR 453 N -2.26 1.84 -0.02 -0.18 -4.23 -1.26 -0.73 115.64 108.80 3nek s THR 453 Ca -0.07 -1.19 -0.07 0.00 -1.18 0.00 0.00 61.69 59.18 3nek s THR 453 Cb 0.03 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.31 3nek s THR 453 CO 0.42 0.33 0.16 -0.36 -0.54 0.00 0.00 174.62 174.63 3nek s PHE 454 N -0.73 -0.04 0.21 3.99 0.08 -0.08 -1.25 117.98 120.16 3nek s PHE 454 Ca 0.09 0.07 -0.30 0.00 0.12 0.00 0.00 56.93 56.91 3nek s PHE 454 Cb -0.09 -0.01 -0.08 0.00 -0.57 0.00 0.00 43.02 42.27 3nek s PHE 454 CO 0.01 -0.23 1.04 -0.51 -0.10 0.00 0.00 175.22 175.43 3nek s LEU 455 N -0.92 4.55 0.07 -0.37 1.43 -1.26 0.09 118.68 122.27 3nek s LEU 455 Ca -0.10 2.05 -0.15 0.00 -1.03 0.00 0.00 54.13 54.90 3nek s LEU 455 Cb -0.06 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.58 3nek s LEU 455 CO 0.01 -0.08 0.35 0.00 0.23 0.00 0.00 176.35 176.86 3nek s ALA 456 N -0.65 -0.79 0.23 4.21 0.00 -0.58 -0.67 121.76 123.51 3nek s ALA 456 Ca 0.46 0.00 0.12 0.00 0.00 0.00 0.00 51.96 52.54 3nek s ALA 456 Cb -0.28 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 3nek s ALA 456 CO 0.35 -0.50 -0.22 0.20 0.00 0.00 0.00 175.76 175.59 3nek s GLY 457 N -2.35 1.78 -0.13 0.00 0.00 -0.25 -1.02 107.32 105.34 3nek s GLY 457 Ca -0.02 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 42.98 3nek s GLY 457 CO -0.06 -1.79 -0.16 -0.12 0.00 0.00 0.00 173.10 170.97 3nek s PHE 458 N -2.01 2.19 0.14 1.90 2.19 0.96 -1.65 117.98 121.69 3nek s PHE 458 Ca 0.25 -1.15 0.11 0.00 0.33 0.00 0.00 56.93 56.46 3nek s PHE 458 Cb -0.07 -1.58 -0.04 0.00 -1.31 0.00 0.00 43.02 40.03 3nek s PHE 458 CO 0.12 -0.60 -0.26 1.03 1.83 0.00 0.00 175.22 177.34 3nek s ARG 459 N 1.22 1.40 -0.16 10.12 3.00 0.44 -0.33 118.95 134.64 3nek s ARG 459 Ca -0.01 -1.37 -0.02 0.00 0.00 0.00 0.00 55.73 54.33 3nek s ARG 459 Cb -0.14 -1.84 -0.02 0.00 0.00 0.00 0.00 34.95 32.95 3nek s ARG 459 CO -0.07 0.43 -0.07 -1.21 0.00 0.00 0.00 175.30 174.38 3nek s GLU 460 N -2.18 3.53 -0.01 3.54 2.02 0.35 0.30 118.70 126.25 3nek s GLU 460 Ca 0.15 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 54.62 3nek s GLU 460 Cb -0.10 -2.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 3nek s GLU 460 CO 0.07 0.17 -0.23 0.54 0.02 0.00 0.00 175.26 175.82 3nek s VAL 461 N 0.51 2.31 0.38 2.63 0.11 -0.29 -1.26 120.40 124.79 3nek s VAL 461 Ca -0.05 -1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 57.63 3nek s VAL 461 Cb -0.15 -1.86 -0.09 0.00 -1.53 0.00 0.00 36.38 32.75 3nek s VAL 461 CO 0.03 0.52 1.30 -2.28 -3.33 0.00 0.00 175.10 171.34 3nek s HIS 462 N -0.70 2.91 0.33 1.54 2.46 -1.26 0.19 115.29 120.76 3nek s HIS 462 Ca 0.11 1.42 0.11 0.00 0.47 0.00 0.00 55.06 57.17 3nek s HIS 462 Cb -0.10 -3.66 1.01 0.00 -0.13 0.00 0.00 32.58 29.70 3nek s HIS 462 CO 0.00 -1.96 1.64 -0.09 -2.47 0.00 0.00 174.74 171.86 3nek h ARG 463 N 2.91 0.20 -0.47 2.88 2.43 -1.89 -1.06 114.38 119.38 3nek h ARG 463 Ca -0.49 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 3nek h ARG 463 Cb 1.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3nek h ARG 463 CO 0.63 0.14 -0.16 -0.39 -1.51 0.00 0.00 179.97 178.68 3nek h VAL 464 N 0.21 1.27 0.00 0.20 -1.51 -1.92 -3.06 116.25 111.44 3nek h VAL 464 Ca 0.70 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 3nek h VAL 464 Cb 1.60 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 3nek h VAL 464 CO -0.68 0.44 0.00 0.00 -1.23 0.00 0.00 177.57 176.11 3nek n ALA 465 N -2.50 2.01 -0.13 5.19 0.00 -0.43 -4.02 120.51 120.63 3nek n ALA 465 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 3nek n ALA 465 Cb 0.41 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.45 3nek n ALA 465 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3nek h ARG 466 N 0.00 0.35 -0.39 0.00 2.43 -1.38 0.21 114.38 115.60 3nek h ARG 466 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3nek h ARG 466 Cb 0.58 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3nek h ARG 466 CO 0.00 0.23 0.02 1.49 -1.51 0.00 0.00 179.97 180.20 3nek h GLU 467 N 0.36 0.61 -0.35 0.20 4.81 -1.78 -2.51 114.58 115.92 3nek h GLU 467 Ca 0.18 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3nek h GLU 467 Cb 0.13 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3nek h GLU 467 CO -0.16 0.62 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.39 3nek h LYS 468 N 0.58 0.72 -0.81 1.92 1.63 -1.53 -2.91 116.57 116.17 3nek h LYS 468 Ca 0.12 -0.30 0.10 0.00 -0.85 0.00 0.00 60.65 59.72 3nek h LYS 468 Cb 0.35 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.88 3nek h LYS 468 CO 0.01 0.90 0.46 1.25 -3.45 0.00 0.00 179.45 178.62 3nek h LEU 469 N 0.50 0.65 -0.75 5.20 6.46 -0.27 -1.76 115.31 125.33 3nek h LEU 469 Ca 0.08 0.05 -0.13 0.00 -0.12 0.00 0.00 57.88 57.76 3nek h LEU 469 Cb 0.67 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 3nek h LEU 469 CO 0.05 0.37 -0.62 -0.33 -0.62 0.00 0.00 178.44 177.28 3nek h GLU 470 N 0.77 0.00 -0.51 1.25 5.08 -1.45 -1.02 114.58 118.69 3nek h GLU 470 Ca 0.39 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.69 3nek h GLU 470 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3nek h GLU 470 CO -0.25 0.62 0.08 1.49 -1.00 0.00 0.00 179.01 179.94 3nek h GLU 471 N 0.00 0.85 -0.30 2.33 4.22 -1.19 -3.06 114.58 117.43 3nek h GLU 471 Ca -0.01 -0.23 -0.14 0.00 0.08 0.00 0.00 59.36 59.06 3nek h GLU 471 Cb 1.10 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3nek h GLU 471 CO 0.08 0.84 -0.35 0.28 -2.18 0.00 0.00 179.01 177.68 3nek h VAL 472 N 0.73 1.29 -0.65 0.32 2.07 -1.13 -3.04 116.25 115.85 3nek h VAL 472 Ca 0.15 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 66.22 3nek h VAL 472 Cb 0.41 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3nek h VAL 472 CO 0.01 0.50 0.31 0.25 0.02 0.00 0.00 177.57 178.66 3nek h LEU 473 N 0.53 0.41 -0.33 2.57 5.85 -1.19 0.02 115.31 123.18 3nek h LEU 473 Ca 0.04 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.63 3nek h LEU 473 Cb 0.94 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3nek h LEU 473 CO 0.09 0.25 -0.85 0.11 -0.34 0.00 0.00 178.44 177.70 3nek h LYS 474 N 0.56 0.13 0.00 1.25 1.57 -1.57 -0.53 116.57 117.99 3nek h LYS 474 Ca 0.31 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3nek h LYS 474 Cb 0.30 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3nek h LYS 474 CO -0.24 0.90 -0.42 0.87 -0.57 0.00 0.00 179.45 179.98 3nek h LYS 475 N 0.07 0.00 -0.07 3.15 1.79 -1.36 -3.12 116.57 117.03 3nek h LYS 475 Ca -0.03 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.30 3nek h LYS 475 Cb 1.47 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.13 3nek h LYS 475 CO 0.12 0.42 -0.50 1.25 -1.08 0.00 0.00 179.45 179.66 3nek h LEU 476 N 0.00 0.56 -3.03 2.94 5.85 -0.76 -3.47 115.31 117.40 3nek h LEU 476 Ca -0.00 -0.67 -0.30 0.00 0.84 0.00 0.00 57.88 57.74 3nek h LEU 476 Cb 0.97 -0.17 0.05 0.00 0.37 0.00 0.00 40.66 41.88 3nek h LEU 476 CO 0.05 1.15 -0.69 -3.20 -0.34 0.00 0.00 178.44 175.42 3nek n ASN 477 N -4.26 -6.07 -4.06 1.25 5.15 -0.23 -5.02 115.26 102.02 3nek n ASN 477 Ca -0.09 -0.70 -0.20 0.00 -0.60 0.00 0.00 54.58 53.00 3nek n ASN 477 Cb 0.61 -3.69 -0.14 0.00 -0.53 0.00 0.00 39.78 36.02 3nek n ASN 477 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3nek s TRP 478 N -3.21 0.98 0.47 1.20 0.52 -1.26 -4.94 118.94 112.70 3nek s TRP 478 Ca 0.22 -0.22 -0.22 0.00 0.02 0.00 0.00 56.10 55.90 3nek s TRP 478 Cb -0.07 -0.62 -0.07 0.00 -1.15 0.00 0.00 33.47 31.55 3nek s TRP 478 CO 0.83 -0.01 1.15 -0.80 0.02 0.00 0.00 176.95 178.13 3nek s ASN 479 N -0.43 6.13 0.00 2.95 0.02 -1.26 -4.51 114.94 117.84 3nek s ASN 479 Ca 0.03 2.25 0.00 0.00 -1.02 0.00 0.00 52.86 54.12 3nek s ASN 479 Cb -0.05 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.63 3nek s ASN 479 CO -0.00 -0.94 0.00 0.61 0.02 0.00 0.00 177.10 176.79 3nek n GLY 480 N 0.36 2.90 3.58 0.66 0.00 -1.26 -0.96 105.19 110.47 3nek n GLY 480 Ca 0.08 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3nek n GLY 480 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nek s ILE 481 N 0.00 4.88 -0.05 -0.61 -1.09 -1.26 -4.39 121.20 118.68 3nek s ILE 481 Ca 0.00 0.73 -0.18 0.00 -2.23 0.00 0.00 60.65 58.97 3nek s ILE 481 Cb 0.00 -4.07 -0.31 0.00 -1.58 0.00 0.00 42.46 36.50 3nek s ILE 481 CO 0.00 -0.27 0.80 0.50 -1.23 0.00 0.00 174.94 174.74 3nek h LYS 482 N 8.36 0.33 -2.50 2.79 1.63 -1.04 -3.49 116.57 122.66 3nek h LYS 482 Ca -0.26 -0.57 -0.04 0.00 -0.85 0.00 0.00 60.65 58.93 3nek h LYS 482 Cb 1.11 0.21 -0.16 0.00 -0.60 0.00 0.00 32.23 32.80 3nek h LYS 482 CO 0.84 1.27 0.20 0.00 -3.45 0.00 0.00 179.45 178.31 3nek s ALA 483 N -2.48 -1.68 -0.10 5.00 0.00 -1.17 -5.00 121.76 116.32 3nek s ALA 483 Ca -0.15 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.73 3nek s ALA 483 Cb 0.03 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.60 3nek s ALA 483 CO 0.83 -0.57 -0.12 0.42 0.00 0.00 0.00 175.76 176.33 3nek s ILE 484 N -2.45 1.24 0.74 0.00 1.01 -1.26 -1.14 121.20 119.33 3nek s ILE 484 Ca -0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 3nek s ILE 484 Cb -0.00 -1.17 0.12 0.00 0.01 0.00 0.00 42.46 41.42 3nek s ILE 484 CO -0.01 0.39 1.02 -0.83 0.00 0.00 0.00 174.94 175.51 3nek s GLY 485 N 1.11 1.76 0.43 6.18 0.00 0.30 -4.99 107.32 112.11 3nek s GLY 485 Ca -0.05 -1.48 -0.15 0.00 0.00 0.00 0.00 44.72 43.04 3nek s GLY 485 CO -0.02 -0.94 0.86 -0.54 0.00 0.00 0.00 173.10 172.45 3nek s GLU 486 N -5.23 3.93 0.21 2.90 0.41 -1.26 -4.51 118.70 115.15 3nek s GLU 486 Ca 0.66 0.74 -0.32 0.00 -0.41 0.00 0.00 54.97 55.64 3nek s GLU 486 Cb -0.06 -2.29 -0.13 0.00 -1.78 0.00 0.00 34.13 29.87 3nek s GLU 486 CO 0.45 -0.08 1.65 -2.30 -0.49 0.00 0.00 175.26 174.50 3nek n PRO 487 N -1.14 2.56 -1.32 0.39 -0.02 -1.26 -2.44 135.00 131.77 3nek n PRO 487 Ca 0.05 0.92 -0.11 0.00 -2.02 0.00 0.00 63.50 62.34 3nek n PRO 487 Cb 0.54 -2.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 3nek n PRO 487 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3nek n ASN 488 N 3.51 -4.84 -4.58 2.55 3.02 -1.26 -5.00 115.26 108.66 3nek n ASN 488 Ca 0.15 0.27 -0.31 0.00 -0.03 0.00 0.00 54.58 54.66 3nek n ASN 488 Cb 0.33 -3.30 -0.10 0.00 -0.61 0.00 0.00 39.78 36.09 3nek n ASN 488 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3nek s ASN 489 N -2.63 4.49 0.34 6.41 -0.87 -1.02 -4.90 114.94 116.75 3nek s ASN 489 Ca 0.00 -0.23 -0.29 0.00 -1.57 0.00 0.00 52.86 50.77 3nek s ASN 489 Cb 0.00 -0.98 -0.10 0.00 -0.02 0.00 0.00 41.25 40.15 3nek s ASN 489 CO 0.00 0.25 1.37 -1.61 -2.57 0.00 0.00 177.10 174.54 3nek s GLU 490 N -1.61 4.28 -0.19 -0.60 8.01 -1.26 -4.49 118.70 122.83 3nek s GLU 490 Ca 0.18 2.32 0.00 0.00 0.01 0.00 0.00 54.97 57.49 3nek s GLU 490 Cb -0.11 -3.05 0.05 0.00 -4.31 0.00 0.00 34.13 26.71 3nek s GLU 490 CO 0.09 -0.30 -0.07 -1.17 0.01 0.00 0.00 175.26 173.82 3nek s LEU 491 N -1.75 2.01 -1.46 1.80 0.20 -0.63 -4.81 118.68 114.05 3nek s LEU 491 Ca 0.51 -0.85 -0.03 0.00 0.69 0.00 0.00 54.13 54.45 3nek s LEU 491 Cb -0.42 -1.07 0.00 0.00 -0.43 0.00 0.00 46.19 44.28 3nek s LEU 491 CO 0.55 -0.18 0.43 -1.22 -0.29 0.00 0.00 176.35 175.63 3nek n TYR 492 N 4.77 -1.58 -0.50 5.38 4.02 -1.26 -2.46 117.16 125.53 3nek n TYR 492 Ca -0.13 0.37 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 3nek n TYR 492 Cb 0.47 -4.08 0.00 0.00 -0.02 0.00 0.00 39.34 35.71 3nek n TYR 492 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3nek n GLY 493 N -1.36 0.75 3.34 2.72 0.00 -1.26 -1.44 105.19 107.94 3nek n GLY 493 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3nek n GLY 493 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nek s ILE 494 N -2.68 3.08 0.71 -0.61 1.01 -1.03 -4.96 121.20 116.73 3nek s ILE 494 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 3nek s ILE 494 Cb 0.00 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.17 3nek s ILE 494 CO 0.00 0.50 1.08 -0.83 0.00 0.00 0.00 174.94 175.69 3nek s GLY 495 N 0.69 1.78 0.08 6.18 0.00 -1.26 -1.60 107.32 113.20 3nek s GLY 495 Ca -0.06 0.25 0.06 0.00 0.00 0.00 0.00 44.72 44.98 3nek s GLY 495 CO 0.02 0.58 -0.17 0.14 0.00 0.00 0.00 173.10 173.67 3nek s VAL 496 N -2.83 1.37 1.18 1.40 1.01 -1.26 -4.92 120.40 116.35 3nek s VAL 496 Ca 0.61 -1.41 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3nek s VAL 496 Cb -0.16 -1.28 0.28 0.00 0.00 0.00 0.00 36.38 35.21 3nek s VAL 496 CO 0.52 -0.16 1.12 0.20 0.00 0.00 0.00 175.10 176.78 3nek s ASN 497 N -1.81 1.10 -0.06 3.32 0.02 -1.26 -4.89 114.94 111.36 3nek s ASN 497 Ca 0.02 0.63 -0.32 0.00 -1.02 0.00 0.00 52.86 52.16 3nek s ASN 497 Cb -0.10 -0.88 -0.10 0.00 0.02 0.00 0.00 41.25 40.19 3nek s ASN 497 CO 0.03 -4.01 1.94 0.29 0.02 0.00 0.00 177.10 175.37 3nek n LYS 498 N -4.68 2.40 -3.02 -0.60 5.02 -1.26 -4.60 118.16 111.41 3nek n LYS 498 Ca 0.13 0.87 -0.05 0.00 -2.02 0.00 0.00 58.31 57.24 3nek n LYS 498 Cb 0.59 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 3nek n LYS 498 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3nek n ASP 499 N 7.33 -7.68 -3.70 4.39 8.00 -1.26 -5.01 116.55 118.61 3nek n ASP 499 Ca 0.23 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 3nek n ASP 499 Cb 0.34 -5.10 -0.10 0.00 -0.02 0.00 0.00 41.12 36.24 3nek n ASP 499 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nek s GLY 502 N 0.83 2.95 -0.12 0.00 0.00 -1.26 -1.14 107.32 108.58 3nek s GLY 502 Ca -0.05 1.01 -0.01 0.00 0.00 0.00 0.00 44.72 45.68 3nek s GLY 502 CO -0.07 1.58 -0.04 0.14 0.00 0.00 0.00 173.10 174.72 3nek s VAL 503 N -1.29 0.79 -0.35 1.40 1.01 0.15 -0.54 120.40 121.57 3nek s VAL 503 Ca 0.52 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 3nek s VAL 503 Cb -0.33 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3nek s VAL 503 CO 0.42 0.23 0.21 -0.69 0.00 0.00 0.00 175.10 175.28 3nek s VAL 504 N 1.79 4.87 0.00 2.92 1.01 -0.29 -0.42 120.40 130.28 3nek s VAL 504 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3nek s VAL 504 Cb -0.13 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3nek s VAL 504 CO -0.07 -0.10 0.00 0.35 0.00 0.00 0.00 175.10 175.28 3nek n THR 505 N 5.05 0.00 -4.69 3.92 -2.24 -0.66 -0.38 114.28 115.28 3nek n THR 505 Ca -0.13 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 3nek n THR 505 Cb 0.48 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 3nek n THR 505 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3nek s GLY 507 N 0.00 1.54 0.57 3.38 0.00 0.15 -1.09 107.32 111.88 3nek s GLY 507 Ca 0.00 -0.92 0.26 0.00 0.00 0.00 0.00 44.72 44.07 3nek s GLY 507 CO 0.00 -0.13 2.22 -1.33 0.00 0.00 0.00 173.10 173.86 3nek h GLY 508 N 6.84 0.00 -2.53 0.20 0.00 -1.90 -2.65 103.07 103.04 3nek h GLY 508 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3nek h GLY 508 CO 0.56 0.00 0.00 0.29 0.00 0.00 0.00 176.54 177.39 3nek n ILE 509 N -4.01 1.41 -0.37 2.60 -5.35 -1.26 -4.38 119.36 108.00 3nek n ILE 509 Ca -0.02 -0.92 -0.01 0.00 -0.27 0.00 0.00 62.75 61.52 3nek n ILE 509 Cb 0.11 0.05 0.12 0.00 -1.74 0.00 0.00 39.64 38.18 3nek n ILE 509 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3nek h ASN 510 N 3.26 1.12 0.40 7.28 2.35 -1.83 -2.38 115.58 125.78 3nek h ASN 510 Ca 0.00 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3nek h ASN 510 Cb 1.18 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 3nek h ASN 510 CO 0.18 0.80 -0.20 -0.65 -1.65 0.00 0.00 177.43 175.91 3nek h PRO 511 N 1.32 0.00 -0.02 0.81 0.11 -1.84 -2.05 132.00 130.32 3nek h PRO 511 Ca 0.37 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.39 3nek h PRO 511 Cb -0.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3nek h PRO 511 CO -0.09 0.20 -0.41 -0.07 -0.21 0.00 0.00 178.00 177.42 3nek h LEU 512 N 0.00 0.05 -0.61 2.35 4.07 -1.74 -2.63 115.31 116.80 3nek h LEU 512 Ca -0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 3nek h LEU 512 Cb 0.46 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 3nek h LEU 512 CO 0.03 0.45 0.25 0.58 -1.08 0.00 0.00 178.44 178.67 3nek h VAL 513 N 0.04 1.23 -0.22 1.22 2.07 -1.17 -2.78 116.25 116.65 3nek h VAL 513 Ca 0.00 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3nek h VAL 513 Cb 0.74 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3nek h VAL 513 CO 0.05 0.28 -0.06 -0.07 0.02 0.00 0.00 177.57 177.80 3nek h LEU 514 N 0.85 0.32 0.36 2.57 3.38 -1.35 0.93 115.31 122.37 3nek h LEU 514 Ca 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3nek h LEU 514 Cb 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3nek h LEU 514 CO -0.02 0.42 -0.17 -0.07 0.09 0.00 0.00 178.44 178.69 3nek h LEU 515 N 0.33 -0.41 -1.20 1.67 3.38 -1.35 -1.03 115.31 116.70 3nek h LEU 515 Ca 0.07 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3nek h LEU 515 Cb 0.32 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3nek h LEU 515 CO 0.01 -0.20 0.55 0.50 0.09 0.00 0.00 178.44 179.39 3nek h LYS 516 N -0.59 1.00 0.00 1.13 3.64 -1.19 -1.27 116.57 119.29 3nek h LYS 516 Ca -0.05 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3nek h LYS 516 Cb 0.43 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3nek h LYS 516 CO 0.08 0.66 -0.18 0.93 -2.27 0.00 0.00 179.45 178.67 3nek h GLU 517 N 1.03 0.00 -0.99 1.90 4.39 -0.71 -2.92 114.58 117.27 3nek h GLU 517 Ca 0.34 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.39 3nek h GLU 517 Cb 0.05 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.41 3nek h GLU 517 CO -0.10 0.18 0.81 0.09 -1.16 0.00 0.00 179.01 178.82 3nek n ASN 518 N -3.32 7.05 -2.45 1.42 3.02 -0.40 -4.91 115.26 115.67 3nek n ASN 518 Ca 0.00 -3.76 -0.21 0.00 -0.03 0.00 0.00 54.58 50.59 3nek n ASN 518 Cb 0.42 -0.94 -0.01 0.00 -0.61 0.00 0.00 39.78 38.64 3nek n ASN 518 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3nek n GLU 519 N -0.95 -1.97 -3.68 3.52 1.02 -1.10 -4.99 120.64 112.49 3nek n GLU 519 Ca 0.62 0.98 -0.38 0.00 -0.02 0.00 0.00 57.16 58.36 3nek n GLU 519 Cb 0.82 -5.66 -0.12 0.00 -0.02 0.00 0.00 31.44 26.46 3nek n GLU 519 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3nek s ILE 520 N -3.03 4.52 0.30 -3.67 1.01 -0.74 -5.03 121.20 114.57 3nek s ILE 520 Ca 0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3nek s ILE 520 Cb -0.01 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 3nek s ILE 520 CO 0.03 0.11 1.40 -2.16 0.00 0.00 0.00 174.94 174.32 3nek s PRO 521 N 1.61 4.28 -0.07 2.79 0.04 -1.26 -3.75 135.00 138.63 3nek s PRO 521 Ca 0.05 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 3nek s PRO 521 Cb -0.17 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.34 3nek s PRO 521 CO 0.06 -0.35 0.13 -1.50 0.04 0.00 0.00 177.00 175.38 3nek s ILE 522 N -0.64 -0.18 -0.65 0.56 2.07 -1.26 -4.66 121.20 116.44 3nek s ILE 522 Ca 0.54 0.32 -0.22 0.00 -1.41 0.00 0.00 60.65 59.88 3nek s ILE 522 Cb -0.42 -0.24 0.08 0.00 0.13 0.00 0.00 42.46 42.00 3nek s ILE 522 CO 0.50 0.13 0.93 -0.70 -1.91 0.00 0.00 174.94 173.89 3nek s GLU 523 N 1.94 3.10 -0.08 3.50 2.12 0.12 -4.93 118.70 124.47 3nek s GLU 523 Ca -0.00 -0.91 -0.27 0.00 0.36 0.00 0.00 54.97 54.14 3nek s GLU 523 Cb -0.12 -4.23 -0.02 0.00 0.26 0.00 0.00 34.13 30.01 3nek s GLU 523 CO -0.05 -1.78 0.90 -1.17 -0.54 0.00 0.00 175.26 172.62 3nek s LEU 524 N 3.86 4.28 0.14 2.70 2.96 -1.26 -0.15 118.68 131.20 3nek s LEU 524 Ca 0.20 1.42 0.04 0.00 -0.22 0.00 0.00 54.13 55.58 3nek s LEU 524 Cb -0.18 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 3nek s LEU 524 CO 0.10 -0.31 0.12 -0.54 -1.32 0.00 0.00 176.35 174.40 3nek s LYS 525 N 1.48 2.91 -1.30 1.98 -0.14 -1.11 -5.00 119.74 118.55 3nek s LYS 525 Ca 0.45 -0.81 -0.11 0.00 -1.36 0.00 0.00 55.97 54.15 3nek s LYS 525 Cb -0.19 -2.68 -0.06 0.00 -1.68 0.00 0.00 37.83 33.22 3nek s LYS 525 CO 0.20 0.51 2.48 0.00 -0.76 0.00 0.00 175.35 177.78 3nek n ALA 526 N -0.10 5.95 -3.64 5.17 0.00 -1.26 -4.64 120.51 121.99 3nek n ALA 526 Ca -0.08 -3.11 -0.07 0.00 0.00 0.00 0.00 53.44 50.18 3nek n ALA 526 Cb 0.54 -3.32 -0.07 0.00 0.00 0.00 0.00 19.45 16.60 3nek n ALA 526 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3nek s HIS 528 N 3.00 -0.40 -0.01 0.00 3.76 -1.26 -5.03 115.29 115.34 3nek s HIS 528 Ca 0.56 0.96 0.05 0.00 -0.15 0.00 0.00 55.06 56.47 3nek s HIS 528 Cb 0.15 0.38 -0.03 0.00 1.11 0.00 0.00 32.58 34.19 3nek s HIS 528 CO -0.04 -0.19 -0.14 -1.21 -0.85 0.00 0.00 174.74 172.30 3nek s GLU 529 N 0.32 2.37 -0.34 1.40 2.02 -0.64 -4.95 118.70 118.88 3nek s GLU 529 Ca 0.03 -0.80 -0.22 0.00 0.02 0.00 0.00 54.97 54.00 3nek s GLU 529 Cb -0.05 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.85 3nek s GLU 529 CO -0.09 0.59 0.73 0.08 0.02 0.00 0.00 175.26 176.59 3nek s VAL 530 N -0.84 4.81 0.07 2.63 1.01 -1.26 -1.15 120.40 125.67 3nek s VAL 530 Ca 0.14 0.90 0.05 0.00 0.00 0.00 0.00 61.98 63.06 3nek s VAL 530 Cb -0.11 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3nek s VAL 530 CO 0.03 -0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 173.99 3nek s VAL 531 N 2.91 1.06 0.31 2.92 1.01 -0.71 -4.98 120.40 122.92 3nek s VAL 531 Ca 0.29 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 3nek s VAL 531 Cb -0.14 -1.09 -0.10 0.00 0.00 0.00 0.00 36.38 35.06 3nek s VAL 531 CO 0.15 -0.28 1.17 -0.60 0.00 0.00 0.00 175.10 175.53 3nek s ARG 532 N -1.88 4.50 0.52 2.72 6.06 -1.26 -1.06 118.95 128.54 3nek s ARG 532 Ca -0.01 1.94 0.23 0.00 -2.50 0.00 0.00 55.73 55.39 3nek s ARG 532 Cb -0.09 -3.11 1.40 0.00 0.06 0.00 0.00 34.95 33.21 3nek s ARG 532 CO 0.02 0.04 2.10 0.35 -2.50 0.00 0.00 175.30 175.31 3nek h PHE 533 N 3.57 0.00 0.00 5.12 3.57 -1.69 -2.71 116.94 124.80 3nek h PHE 533 Ca -0.48 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.96 3nek h PHE 533 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3nek h PHE 533 CO 0.58 0.10 -0.29 0.77 -2.23 0.00 0.00 178.31 177.24 3nek h SER 534 N 0.00 0.00 -0.29 0.41 0.02 -1.92 -3.07 113.55 108.70 3nek h SER 534 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3nek h SER 534 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3nek h SER 534 CO 0.01 0.29 0.00 0.47 -1.14 0.00 0.00 176.83 176.46 3nek n ASP 535 N -3.90 2.04 -4.59 3.07 8.00 -1.02 -4.82 116.55 115.33 3nek n ASP 535 Ca -0.02 -2.11 -0.29 0.00 0.71 0.00 0.00 54.79 53.08 3nek n ASP 535 Cb 0.37 -0.31 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 3nek n ASP 535 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3nek s LEU 536 N -1.04 3.09 -0.13 0.64 1.43 -1.16 -4.81 118.68 116.70 3nek s LEU 536 Ca 0.21 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 3nek s LEU 536 Cb 0.13 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3nek s LEU 536 CO 0.12 0.16 0.23 -0.54 0.23 0.00 0.00 176.35 176.55 3nek s LYS 537 N -2.35 3.94 0.68 1.70 3.01 0.10 -4.77 119.74 122.06 3nek s LYS 537 Ca 0.23 0.01 -0.11 0.00 -1.01 0.00 0.00 55.97 55.09 3nek s LYS 537 Cb -0.11 -3.32 0.00 0.00 -1.01 0.00 0.00 37.83 33.39 3nek s LYS 537 CO 0.15 0.49 1.06 0.45 0.51 0.00 0.00 175.35 178.01 3nek s SER 538 N -0.26 5.54 0.00 2.83 0.15 -1.26 -0.91 113.70 119.78 3nek s SER 538 Ca 0.15 1.49 0.27 0.00 0.70 0.00 0.00 55.95 58.57 3nek s SER 538 Cb -0.13 -2.40 0.83 0.00 -1.71 0.00 0.00 66.02 62.61 3nek s SER 538 CO 0.04 -1.32 1.62 0.00 1.20 0.00 0.00 173.24 174.78