#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkl n GLY 315 N 0.00 -0.64 3.21 2.58 0.00 -1.26 -2.00 105.19 107.08 3hkl n GLY 315 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 3hkl n GLY 315 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hkl s TYR 316 N -3.00 1.07 -0.17 1.61 -0.85 -0.61 -4.91 117.35 110.48 3hkl s TYR 316 Ca 0.00 -0.89 -0.04 0.00 -0.52 0.00 0.00 57.07 55.62 3hkl s TYR 316 Cb 0.00 -0.59 -0.02 0.00 0.38 0.00 0.00 41.96 41.73 3hkl s TYR 316 CO 0.00 -0.10 -0.03 0.00 -1.52 0.00 0.00 175.55 173.90 3hkl s ALA 318 N 0.66 -0.25 0.38 0.00 0.00 -0.70 -4.87 121.76 116.98 3hkl s ALA 318 Ca -0.02 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 3hkl s ALA 318 Cb -0.14 1.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.92 3hkl s ALA 318 CO 0.02 -0.87 1.29 -0.65 0.00 0.00 0.00 175.76 175.55 3hkl s GLN 319 N -3.80 4.09 0.04 0.00 -0.21 -1.26 -0.61 119.66 117.91 3hkl s GLN 319 Ca 0.22 2.14 -0.30 0.00 0.02 0.00 0.00 55.36 57.44 3hkl s GLN 319 Cb -0.01 -2.84 -0.07 0.00 1.00 0.00 0.00 33.01 31.08 3hkl s GLN 319 CO 0.10 -0.38 1.57 -0.47 -2.12 0.00 0.00 175.29 173.99 3hkl s TYR 320 N -1.24 2.54 -0.54 0.91 5.04 -1.26 -4.90 117.35 117.90 3hkl s TYR 320 Ca 0.54 0.48 0.10 0.00 -2.44 0.00 0.00 57.07 55.76 3hkl s TYR 320 Cb -0.38 -3.86 0.29 0.00 0.35 0.00 0.00 41.96 38.36 3hkl s TYR 320 CO 0.49 -3.39 1.23 0.54 -1.34 0.00 0.00 175.55 173.08 3hkl n ARG 321 N 5.61 2.80 -1.14 4.97 1.74 -1.26 -5.03 116.66 124.35 3hkl n ARG 321 Ca 0.15 -2.14 -0.05 0.00 -0.77 0.00 0.00 57.85 55.04 3hkl n ARG 321 Cb 0.42 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.53 3hkl n ARG 321 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkl n GLY 322 N -0.02 1.04 0.05 -0.13 0.00 -1.26 -5.06 105.19 99.81 3hkl n GLY 322 Ca 0.12 -2.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 3hkl n GLY 322 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkl n GLU 323 N -1.37 1.95 -0.03 1.61 -0.58 -1.26 -4.77 120.64 116.18 3hkl n GLU 323 Ca 0.04 -0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.62 3hkl n GLU 323 Cb 0.13 -1.30 -0.11 0.00 -0.57 0.00 0.00 31.44 29.59 3hkl n GLU 323 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hkl h VAL 324 N 0.00 1.56 -0.61 2.62 2.07 -1.97 -3.38 116.25 116.54 3hkl h VAL 324 Ca -0.28 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.42 3hkl h VAL 324 Cb 1.61 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 3hkl h VAL 324 CO 0.02 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.09 3hkl h ASP 326 N 3.93 -1.53 0.87 0.00 3.32 -1.86 -1.90 116.42 119.24 3hkl h ASP 326 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hkl h ASP 326 Cb 1.50 0.60 0.00 0.00 0.22 0.00 0.00 39.33 41.65 3hkl h ASP 326 CO 0.27 -0.41 0.00 0.00 -1.72 0.00 0.00 179.24 177.38 3hkl n ALA 327 N -2.96 1.92 -0.05 3.45 0.00 -1.26 -3.87 120.51 117.73 3hkl n ALA 327 Ca -0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3hkl n ALA 327 Cb 0.32 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 3hkl n ALA 327 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hkl n VAL 328 N -1.89 1.53 -1.93 0.00 0.31 -0.76 -4.93 118.33 110.66 3hkl n VAL 328 Ca 0.04 -0.81 -0.30 0.00 -0.01 0.00 0.00 64.34 63.26 3hkl n VAL 328 Cb 0.27 -0.86 0.03 0.00 -0.91 0.00 0.00 33.84 32.38 3hkl n VAL 328 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hkl s LEU 329 N -5.91 3.05 0.23 7.52 1.43 -0.93 -4.46 118.68 119.62 3hkl s LEU 329 Ca -0.08 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 3hkl s LEU 329 Cb 0.07 -4.09 -0.10 0.00 0.03 0.00 0.00 46.19 42.10 3hkl s LEU 329 CO 0.82 -1.14 1.47 -0.69 0.23 0.00 0.00 176.35 177.04 3hkl s VAL 330 N -3.26 2.63 0.24 -1.59 1.01 -1.26 -4.90 120.40 113.27 3hkl s VAL 330 Ca 0.57 0.51 -0.31 0.00 0.00 0.00 0.00 61.98 62.75 3hkl s VAL 330 Cb -0.11 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.83 3hkl s VAL 330 CO 0.52 0.07 1.65 -1.59 0.00 0.00 0.00 175.10 175.75 3hkl s LYS 331 N -0.07 4.14 -1.94 2.72 0.00 -1.26 -2.93 119.74 120.39 3hkl s LYS 331 Ca 0.62 2.56 0.00 0.00 0.00 0.00 0.00 55.97 59.15 3hkl s LYS 331 Cb -0.42 -3.06 0.00 0.00 0.00 0.00 0.00 37.83 34.34 3hkl s LYS 331 CO 0.41 -0.68 0.00 -0.25 0.00 0.00 0.00 175.35 174.83 3hkl n ASP 332 N 3.25 -5.27 -4.97 0.03 8.00 -1.26 -4.98 116.55 111.36 3hkl n ASP 332 Ca 0.12 0.34 -0.22 0.00 0.71 0.00 0.00 54.79 55.75 3hkl n ASP 332 Cb 0.36 -4.59 0.01 0.00 -0.02 0.00 0.00 41.12 36.89 3hkl n ASP 332 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hkl s SER 333 N -2.46 5.73 0.04 -2.24 1.04 -1.15 -5.12 113.70 109.54 3hkl s SER 333 Ca 0.00 0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.56 3hkl s SER 333 Cb 0.00 -1.31 -0.04 0.00 0.10 0.00 0.00 66.02 64.78 3hkl s SER 333 CO 0.00 -0.76 0.09 -0.76 0.98 0.00 0.00 173.24 172.80 3hkl s LEU 334 N -4.53 3.90 0.28 2.42 1.43 -1.26 -4.69 118.68 116.23 3hkl s LEU 334 Ca 0.50 0.09 0.10 0.00 -1.03 0.00 0.00 54.13 53.80 3hkl s LEU 334 Cb -0.10 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 3hkl s LEU 334 CO 0.37 0.22 -0.16 0.68 0.23 0.00 0.00 176.35 177.69 3hkl s VAL 335 N -1.31 2.27 -0.16 -1.59 -7.23 0.22 -1.10 120.40 111.51 3hkl s VAL 335 Ca 0.27 -2.32 -0.19 0.00 -1.81 0.00 0.00 61.98 57.93 3hkl s VAL 335 Cb -0.12 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 3hkl s VAL 335 CO 0.19 -0.37 0.52 0.12 -0.31 0.00 0.00 175.10 175.24 3hkl s PHE 336 N -2.63 3.44 -0.22 2.82 5.36 0.19 -1.72 117.98 125.23 3hkl s PHE 336 Ca 0.30 0.86 -0.03 0.00 -0.96 0.00 0.00 56.93 57.09 3hkl s PHE 336 Cb -0.02 -2.64 -0.00 0.00 -0.34 0.00 0.00 43.02 40.02 3hkl s PHE 336 CO 0.14 0.01 -0.06 -0.06 -1.46 0.00 0.00 175.22 173.80 3hkl s PHE 337 N 1.19 2.95 -0.46 10.12 0.08 0.43 -4.41 117.98 127.88 3hkl s PHE 337 Ca 0.26 -1.07 -0.29 0.00 0.12 0.00 0.00 56.93 55.95 3hkl s PHE 337 Cb -0.15 -2.09 0.03 0.00 -0.57 0.00 0.00 43.02 40.24 3hkl s PHE 337 CO 0.10 -0.59 1.12 1.21 -0.10 0.00 0.00 175.22 176.96 3hkl s ASN 338 N 1.45 6.65 0.00 1.36 3.84 -1.26 -1.58 114.94 125.39 3hkl s ASN 338 Ca 0.05 0.48 0.13 0.00 0.21 0.00 0.00 52.86 53.74 3hkl s ASN 338 Cb -0.14 -2.54 0.79 0.00 -0.55 0.00 0.00 41.25 38.81 3hkl s ASN 338 CO -0.04 -1.21 1.44 0.35 -2.79 0.00 0.00 177.10 174.84 3hkl n THR 339 N 6.74 0.00 0.28 -5.21 -2.24 -0.85 -2.11 114.28 110.89 3hkl n THR 339 Ca 0.12 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.05 3hkl n THR 339 Cb 0.49 -0.28 0.79 0.00 -2.10 0.00 0.00 70.33 69.24 3hkl n THR 339 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hkl h SER 340 N 0.00 0.00 -3.22 3.42 0.02 -1.92 -3.41 113.55 108.45 3hkl h SER 340 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3hkl h SER 340 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 3hkl h SER 340 CO 0.00 0.08 -0.11 -0.31 -1.14 0.00 0.00 176.83 175.35 3hkl s TYR 341 N -4.06 3.66 0.35 3.45 2.02 -0.90 -5.00 117.35 116.88 3hkl s TYR 341 Ca -0.02 1.05 0.04 0.00 -0.37 0.00 0.00 57.07 57.77 3hkl s TYR 341 Cb 0.12 -2.48 0.68 0.00 -0.40 0.00 0.00 41.96 39.89 3hkl s TYR 341 CO 0.55 0.42 1.96 -1.35 -1.57 0.00 0.00 175.55 175.56 3hkl h PRO 342 N 5.52 0.80 -2.83 -1.71 0.11 -1.88 -3.30 132.00 128.71 3hkl h PRO 342 Ca -0.46 -0.05 -0.61 0.00 0.11 0.00 0.00 66.00 64.99 3hkl h PRO 342 Cb 1.20 -0.18 -0.41 0.00 0.11 0.00 0.00 31.00 31.73 3hkl h PRO 342 CO 0.68 0.53 -0.72 0.34 -0.21 0.00 0.00 178.00 178.62 3hkl s ASP 343 N -6.23 3.59 0.30 -2.05 -1.08 -1.26 -4.99 116.67 104.95 3hkl s ASP 343 Ca -0.10 -3.56 -0.01 0.00 -0.52 0.00 0.00 52.55 48.37 3hkl s ASP 343 Cb 0.19 -1.20 0.47 0.00 -1.46 0.00 0.00 42.92 40.92 3hkl s ASP 343 CO 0.77 -0.12 1.91 -0.65 0.52 0.00 0.00 175.17 177.61 3hkl h PRO 344 N 5.50 0.91 -0.10 4.34 0.11 -1.79 0.83 132.00 141.80 3hkl h PRO 344 Ca 0.19 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 3hkl h PRO 344 Cb 0.81 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3hkl h PRO 344 CO 0.59 0.69 -0.45 0.93 -0.21 0.00 0.00 178.00 179.55 3hkl h GLU 345 N 0.92 0.25 0.20 1.05 5.08 -1.94 -0.70 114.58 119.43 3hkl h GLU 345 Ca 0.23 -0.13 -0.26 0.00 -1.00 0.00 0.00 59.36 58.20 3hkl h GLU 345 Cb 0.07 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.35 3hkl h GLU 345 CO -0.03 0.66 -1.14 0.93 -1.00 0.00 0.00 179.01 178.42 3hkl h GLU 346 N 0.20 0.42 -0.34 2.33 4.39 -1.84 -2.95 114.58 116.79 3hkl h GLU 346 Ca 0.01 -0.71 -0.02 0.00 0.34 0.00 0.00 59.36 58.98 3hkl h GLU 346 Cb 0.88 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3hkl h GLU 346 CO 0.07 1.34 0.13 0.00 -1.16 0.00 0.00 179.01 179.39 3hkl h ALA 347 N 0.11 0.44 -0.24 3.43 0.00 -0.78 0.47 119.26 122.69 3hkl h ALA 347 Ca -0.20 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3hkl h ALA 347 Cb 1.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 3hkl h ALA 347 CO 0.21 0.05 -0.32 1.96 0.00 0.00 0.00 179.25 181.14 3hkl h GLN 348 N 0.39 0.50 -0.74 0.00 4.20 -1.29 -1.92 115.11 116.25 3hkl h GLN 348 Ca 0.11 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3hkl h GLN 348 Cb 0.20 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3hkl h GLN 348 CO -0.01 0.76 0.33 1.49 -0.67 0.00 0.00 178.83 180.74 3hkl h GLU 349 N 0.43 1.08 -0.21 1.46 4.57 -1.30 -2.66 114.58 117.94 3hkl h GLU 349 Ca 0.05 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 3hkl h GLU 349 Cb 0.78 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 3hkl h GLU 349 CO 0.06 0.86 -0.19 1.25 -1.18 0.00 0.00 179.01 179.81 3hkl h LEU 350 N 1.05 0.35 -0.20 1.64 5.85 -0.68 -1.72 115.31 121.59 3hkl h LEU 350 Ca 0.25 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hkl h LEU 350 Cb 0.16 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3hkl h LEU 350 CO -0.03 0.56 0.05 -0.07 -0.34 0.00 0.00 178.44 178.62 3hkl h LEU 351 N 0.33 0.31 -0.91 2.25 3.38 -1.03 -1.49 115.31 118.15 3hkl h LEU 351 Ca 0.06 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 3hkl h LEU 351 Cb 0.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3hkl h LEU 351 CO 0.04 0.46 -0.47 -0.29 0.09 0.00 0.00 178.44 178.26 3hkl h ILE 352 N 0.14 1.34 -0.27 1.22 6.09 -1.40 -1.25 117.51 123.38 3hkl h ILE 352 Ca 0.06 -1.66 0.00 0.00 -1.37 0.00 0.00 64.86 61.90 3hkl h ILE 352 Cb 0.27 1.81 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 3hkl h ILE 352 CO 0.00 0.49 0.17 0.45 -3.07 0.00 0.00 178.15 176.19 3hkl h HIS 353 N 0.14 0.34 -0.54 2.19 3.86 -1.23 -1.15 115.15 118.76 3hkl h HIS 353 Ca 0.01 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 3hkl h HIS 353 Cb 0.89 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 3hkl h HIS 353 CO 0.01 0.24 0.08 1.15 0.86 0.00 0.00 177.93 180.27 3hkl h THR 354 N 0.35 1.24 -0.65 2.45 2.02 -1.06 -2.55 112.91 114.71 3hkl h THR 354 Ca 0.10 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 3hkl h THR 354 Cb -0.02 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3hkl h THR 354 CO -0.02 0.33 0.28 0.00 0.37 0.00 0.00 175.52 176.48 3hkl h ALA 355 N 1.27 1.28 0.00 6.16 0.00 -1.01 -2.86 119.26 124.09 3hkl h ALA 355 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hkl h ALA 355 Cb 0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hkl h ALA 355 CO 0.01 0.54 -0.03 -1.49 0.00 0.00 0.00 179.25 178.28 3hkl h TRP 356 N 0.92 0.00 -0.47 0.00 4.06 -0.77 -1.47 115.95 118.23 3hkl h TRP 356 Ca 0.22 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.17 3hkl h TRP 356 Cb 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.28 3hkl h TRP 356 CO 0.01 0.03 0.27 -0.97 -3.56 0.00 0.00 178.44 174.22 3hkl h ASN 357 N 0.00 0.55 0.38 -3.49 -1.24 -1.51 -1.52 115.58 108.75 3hkl h ASN 357 Ca -0.00 -0.03 -0.31 0.00 0.71 0.00 0.00 56.30 56.67 3hkl h ASN 357 Cb 0.16 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.02 3hkl h ASN 357 CO 0.00 0.44 -1.85 -0.62 -1.29 0.00 0.00 177.43 174.11 3hkl n GLU 358 N -4.43 0.65 -0.34 6.67 -0.58 -0.65 -4.04 120.64 117.92 3hkl n GLU 358 Ca 0.04 0.24 0.02 0.00 -0.42 0.00 0.00 57.16 57.04 3hkl n GLU 358 Cb 0.08 -1.74 0.19 0.00 -0.57 0.00 0.00 31.44 29.41 3hkl n GLU 358 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hkl h LEU 359 N 0.00 1.00 -0.91 -4.62 3.38 -1.18 -1.75 115.31 111.25 3hkl h LEU 359 Ca -0.34 -0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.87 3hkl h LEU 359 Cb 2.05 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 42.45 3hkl h LEU 359 CO 0.07 0.67 0.33 0.11 0.09 0.00 0.00 178.44 179.71 3hkl h LYS 360 N 1.15 0.27 0.00 1.13 1.57 -1.42 -2.76 116.57 116.51 3hkl h LYS 360 Ca 0.40 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3hkl h LYS 360 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hkl h LYS 360 CO -0.14 0.18 -0.40 0.00 -0.57 0.00 0.00 179.45 178.51 3hkl n ALA 361 N -2.58 2.79 -2.35 3.86 0.00 -0.66 -4.88 120.51 116.69 3hkl n ALA 361 Ca 0.23 -0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 3hkl n ALA 361 Cb 0.73 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3hkl n ALA 361 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hkl s VAL 362 N -3.12 4.91 0.72 0.00 -7.23 -1.04 -5.06 120.40 109.58 3hkl s VAL 362 Ca 0.09 0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 60.40 3hkl s VAL 362 Cb 0.14 -3.75 0.03 0.00 0.56 0.00 0.00 36.38 33.36 3hkl s VAL 362 CO 0.67 -0.47 1.16 -0.94 -0.31 0.00 0.00 175.10 175.22 3hkl s SER 363 N -3.29 4.47 0.00 4.85 1.04 -1.26 -4.62 113.70 114.89 3hkl s SER 363 Ca 0.47 2.20 0.01 0.00 0.48 0.00 0.00 55.95 59.11 3hkl s SER 363 Cb -0.10 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.48 3hkl s SER 363 CO 0.32 -2.07 1.01 -2.65 0.98 0.00 0.00 173.24 170.83 3hkl n PRO 364 N -2.71 0.00 -0.11 4.02 -0.02 -1.26 -0.29 135.00 134.63 3hkl n PRO 364 Ca 0.12 0.47 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 3hkl n PRO 364 Cb 0.51 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 3hkl n PRO 364 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hkl h LEU 365 N 0.00 0.80 0.05 2.45 4.07 -1.91 -3.38 115.31 117.39 3hkl h LEU 365 Ca 0.00 -0.45 -0.36 0.00 0.08 0.00 0.00 57.88 57.15 3hkl h LEU 365 Cb 0.01 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.48 3hkl h LEU 365 CO 0.00 1.08 -2.15 0.00 -1.08 0.00 0.00 178.44 176.28 3hkl h ARG 367 N 0.03 -0.15 -0.24 0.00 2.43 -0.83 0.15 114.38 115.77 3hkl h ARG 367 Ca -0.47 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 3hkl h ARG 367 Cb 2.02 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 3hkl h ARG 367 CO 0.02 -0.10 -0.15 -1.35 -1.51 0.00 0.00 179.97 176.88 3hkl h PRO 368 N -0.15 0.41 -0.06 0.20 0.11 -1.84 -1.49 132.00 129.17 3hkl h PRO 368 Ca 0.13 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3hkl h PRO 368 Cb 0.35 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3hkl h PRO 368 CO -0.33 0.56 -0.05 0.00 -0.21 0.00 0.00 178.00 177.97 3hkl h ALA 369 N 1.47 0.08 -0.90 -0.75 0.00 -1.60 -2.33 119.26 115.24 3hkl h ALA 369 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hkl h ALA 369 Cb 0.50 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3hkl h ALA 369 CO 0.03 -0.13 0.53 0.00 0.00 0.00 0.00 179.25 179.69 3hkl h ALA 370 N 0.56 1.25 -0.42 0.00 0.00 -0.70 -1.87 119.26 118.09 3hkl h ALA 370 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3hkl h ALA 370 Cb 0.54 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hkl h ALA 370 CO 0.01 0.64 0.07 1.49 0.00 0.00 0.00 179.25 181.46 3hkl h GLU 371 N 1.24 0.70 -0.35 0.00 4.81 -1.29 -1.12 114.58 118.56 3hkl h GLU 371 Ca 0.32 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3hkl h GLU 371 Cb -0.04 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 3hkl h GLU 371 CO -0.06 0.73 0.04 0.00 -0.73 0.00 0.00 179.01 178.99 3hkl h ALA 372 N 0.94 0.35 -0.20 2.92 0.00 -1.08 0.48 119.26 122.68 3hkl h ALA 372 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hkl h ALA 372 Cb 0.37 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hkl h ALA 372 CO 0.01 -0.36 0.08 1.25 0.00 0.00 0.00 179.25 180.22 3hkl h LEU 373 N 0.15 0.27 -0.53 0.00 5.85 -1.26 -2.25 115.31 117.54 3hkl h LEU 373 Ca 0.17 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3hkl h LEU 373 Cb 0.21 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3hkl h LEU 373 CO -0.25 0.37 0.08 -0.07 -0.34 0.00 0.00 178.44 178.23 3hkl h LEU 374 N 0.16 0.85 -0.12 2.25 3.38 -0.96 -0.77 115.31 120.11 3hkl h LEU 374 Ca 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3hkl h LEU 374 Cb 0.18 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hkl h LEU 374 CO -0.01 0.90 0.02 0.00 0.09 0.00 0.00 178.44 179.44 3hkl h ASN 376 N -0.04 0.00 0.00 0.00 2.35 -1.38 0.91 115.58 117.41 3hkl h ASN 376 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3hkl h ASN 376 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3hkl h ASN 376 CO 0.00 0.26 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.30 3hkl h HIS 377 N 0.00 -0.00 0.00 1.19 2.76 -1.08 -3.07 115.15 114.95 3hkl h HIS 377 Ca -0.00 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 3hkl h HIS 377 Cb 0.81 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 3hkl h HIS 377 CO 0.00 0.68 -0.38 -0.07 -1.30 0.00 0.00 177.93 176.86 3hkl h LEU 378 N -0.69 0.00 -6.61 0.26 3.38 -1.06 -3.30 115.31 107.29 3hkl h LEU 378 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3hkl h LEU 378 Cb 0.68 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.02 3hkl h LEU 378 CO 0.00 0.38 -0.64 0.49 0.09 0.00 0.00 178.44 178.76 3hkl n PHE 379 N -3.69 2.87 -1.74 1.13 3.72 0.30 -4.95 117.46 115.11 3hkl n PHE 379 Ca -0.01 -4.13 -0.42 0.00 -0.05 0.00 0.00 57.45 52.84 3hkl n PHE 379 Cb 0.48 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.48 3hkl n PHE 379 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3hkl n GLN 380 N 1.55 2.60 -2.16 -1.08 6.02 -1.16 -4.57 117.38 118.59 3hkl n GLN 380 Ca 0.25 0.92 -0.41 0.00 -0.01 0.00 0.00 57.00 57.75 3hkl n GLN 380 Cb 0.39 -2.68 -0.03 0.00 1.02 0.00 0.00 30.24 28.94 3hkl n GLN 380 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3hkl s GLU 381 N -0.61 4.36 0.05 -1.09 2.12 -1.26 -0.64 118.70 121.63 3hkl s GLU 381 Ca 0.64 2.13 -0.18 0.00 0.36 0.00 0.00 54.97 57.92 3hkl s GLU 381 Cb -0.52 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 30.65 3hkl s GLU 381 CO 0.50 -0.28 0.51 0.00 -0.54 0.00 0.00 175.26 175.45 3hkl s SER 383 N -1.09 3.02 0.76 0.00 1.04 0.17 -4.73 113.70 112.87 3hkl s SER 383 Ca 0.27 2.22 -0.13 0.00 0.48 0.00 0.00 55.95 58.79 3hkl s SER 383 Cb -0.19 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.42 3hkl s SER 383 CO 0.17 -3.04 1.14 -2.84 0.98 0.00 0.00 173.24 169.65 3hkl s PRO 384 N -4.57 2.11 0.00 4.02 0.02 -1.26 -4.36 135.00 130.96 3hkl s PRO 384 Ca 0.68 1.46 0.00 0.00 0.02 0.00 0.00 61.00 63.15 3hkl s PRO 384 Cb -0.24 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3hkl s PRO 384 CO 0.57 -1.79 0.00 0.41 -0.33 0.00 0.00 177.00 175.85 3hkl n GLY 385 N -0.33 2.66 0.21 0.52 0.00 -1.26 -4.63 105.19 102.36 3hkl n GLY 385 Ca 0.11 -2.00 0.09 0.00 0.00 0.00 0.00 46.02 44.23 3hkl n GLY 385 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hkl h VAL 386 N 0.00 0.45 -2.60 1.61 -1.51 -2.05 -3.24 116.25 108.89 3hkl h VAL 386 Ca 0.00 -1.31 -0.66 0.00 -1.23 0.00 0.00 66.70 63.50 3hkl h VAL 386 Cb 0.00 1.96 -0.38 0.00 -2.13 0.00 0.00 31.29 30.74 3hkl h VAL 386 CO 0.00 0.22 -0.26 0.18 -1.23 0.00 0.00 177.57 176.47 3hkl n LEU 387 N -3.25 4.23 -4.89 4.19 4.77 -1.26 -5.10 117.00 115.69 3hkl n LEU 387 Ca 0.02 -5.33 -0.30 0.00 -0.03 0.00 0.00 56.01 50.37 3hkl n LEU 387 Cb 0.52 -0.85 0.04 0.00 -2.33 0.00 0.00 43.42 40.79 3hkl n LEU 387 CO 0.35 1.88 0.71 -2.16 -1.33 0.00 0.00 177.39 176.84 3hkl s PRO 388 N -2.25 3.02 0.03 3.23 0.04 -1.23 -5.06 135.00 132.79 3hkl s PRO 388 Ca 0.35 0.45 0.08 0.00 0.04 0.00 0.00 61.00 61.91 3hkl s PRO 388 Cb 0.07 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3hkl s PRO 388 CO -0.03 -0.89 -0.23 -0.08 0.04 0.00 0.00 177.00 175.82 3hkl s THR 389 N -3.27 1.83 0.09 1.26 -1.32 -1.26 -4.86 115.64 108.11 3hkl s THR 389 Ca 0.57 -1.22 -0.31 0.00 -1.21 0.00 0.00 61.69 59.52 3hkl s THR 389 Cb -0.11 -1.57 -0.09 0.00 -1.51 0.00 0.00 72.50 69.23 3hkl s THR 389 CO 0.51 0.31 1.68 -2.16 -2.21 0.00 0.00 174.62 172.74 3hkl s PRO 390 N -1.08 4.19 0.33 7.08 0.04 -1.26 0.41 135.00 144.70 3hkl s PRO 390 Ca 0.09 2.38 -0.22 0.00 0.04 0.00 0.00 61.00 63.29 3hkl s PRO 390 Cb -0.09 -3.56 -0.10 0.00 0.04 0.00 0.00 34.50 30.79 3hkl s PRO 390 CO 0.01 -0.74 0.88 -1.64 0.04 0.00 0.00 177.00 175.55 3hkl s MET 391 N 2.53 4.36 0.75 4.56 -1.94 0.23 -4.90 119.30 124.91 3hkl s MET 391 Ca 0.75 1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 55.72 3hkl s MET 391 Cb -0.41 -2.63 0.04 0.00 2.01 0.00 0.00 34.83 33.85 3hkl s MET 391 CO 0.33 0.22 1.09 -1.25 -0.01 0.00 0.00 175.02 175.40 3hkl s PRO 392 N -2.41 2.45 0.37 2.03 0.04 -1.26 -4.41 135.00 131.81 3hkl s PRO 392 Ca 0.52 0.59 -0.27 0.00 0.04 0.00 0.00 61.00 61.89 3hkl s PRO 392 Cb -0.15 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3hkl s PRO 392 CO 0.20 -1.35 1.19 0.42 0.04 0.00 0.00 177.00 177.50 3hkl s ILE 393 N -3.23 3.09 0.30 0.56 -1.09 -1.26 -0.19 121.20 119.38 3hkl s ILE 393 Ca 0.60 0.98 -0.29 0.00 -2.23 0.00 0.00 60.65 59.70 3hkl s ILE 393 Cb -0.13 -3.58 -0.10 0.00 -1.58 0.00 0.00 42.46 37.07 3hkl s ILE 393 CO 0.53 0.15 1.40 0.00 -1.23 0.00 0.00 174.94 175.80 3hkl h ARG 395 N 4.09 0.22 -0.67 0.00 2.43 -0.85 -2.26 114.38 117.34 3hkl h ARG 395 Ca -0.48 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3hkl h ARG 395 Cb 1.22 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3hkl h ARG 395 CO 0.71 0.14 0.44 0.93 -1.51 0.00 0.00 179.97 180.68 3hkl h GLU 396 N 0.22 0.87 -0.41 0.20 3.07 -1.91 -1.43 114.58 115.19 3hkl h GLU 396 Ca 0.39 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 59.08 3hkl h GLU 396 Cb 0.65 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3hkl h GLU 396 CO -0.52 0.58 -0.20 1.88 -1.40 0.00 0.00 179.01 179.35 3hkl h TYR 397 N 0.90 0.99 -0.40 4.33 0.05 -1.77 -0.83 116.97 120.23 3hkl h TYR 397 Ca 0.25 -0.25 0.06 0.00 0.05 0.00 0.00 58.73 58.84 3hkl h TYR 397 Cb -0.10 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.36 3hkl h TYR 397 CO -0.03 1.02 0.07 0.00 -1.05 0.00 0.00 178.16 178.17 3hkl h LEU 399 N 0.20 0.81 -0.82 0.00 3.38 -1.02 -0.98 115.31 116.87 3hkl h LEU 399 Ca 0.19 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hkl h LEU 399 Cb 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3hkl h LEU 399 CO -0.26 0.89 0.52 0.00 0.09 0.00 0.00 178.44 179.68 3hkl h ALA 400 N 0.94 1.04 0.40 1.53 0.00 -1.02 0.21 119.26 122.36 3hkl h ALA 400 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hkl h ALA 400 Cb 0.46 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hkl h ALA 400 CO 0.02 0.48 -0.19 0.28 0.00 0.00 0.00 179.25 179.84 3hkl h VAL 401 N 1.12 0.44 -0.65 0.00 2.07 -1.17 0.21 116.25 118.27 3hkl h VAL 401 Ca 0.30 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3hkl h VAL 401 Cb -0.08 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3hkl h VAL 401 CO -0.06 0.08 0.17 0.11 0.02 0.00 0.00 177.57 177.89 3hkl h LYS 402 N -0.95 1.03 0.00 1.57 1.57 -1.13 -0.15 116.57 118.52 3hkl h LYS 402 Ca -0.05 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3hkl h LYS 402 Cb 0.55 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3hkl h LYS 402 CO 0.09 0.93 -0.90 0.39 -0.57 0.00 0.00 179.45 179.39 3hkl n GLU 403 N -4.31 2.14 -0.00 3.15 1.02 0.74 -3.35 120.64 120.02 3hkl n GLU 403 Ca 0.04 -0.04 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hkl n GLU 403 Cb 0.24 -1.02 -0.00 0.00 -0.02 0.00 0.00 31.44 30.64 3hkl n GLU 403 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hkl n LEU 404 N -1.50 0.09 -0.01 -4.62 7.94 -0.57 -4.14 117.00 114.19 3hkl n LEU 404 Ca -0.00 0.01 -0.03 0.00 -1.11 0.00 0.00 56.01 54.88 3hkl n LEU 404 Cb 0.15 -0.43 0.21 0.00 0.53 0.00 0.00 43.42 43.88 3hkl n LEU 404 CO 0.15 -0.49 0.79 -0.26 -1.11 0.00 0.00 177.39 176.46 3hkl h PHE 405 N -0.04 0.59 -0.24 1.96 0.04 -0.71 -3.06 116.94 115.48 3hkl h PHE 405 Ca 0.00 -0.11 -0.12 0.00 2.80 0.00 0.00 57.97 60.54 3hkl h PHE 405 Cb 0.04 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 37.97 3hkl h PHE 405 CO -0.02 0.69 -0.21 0.00 -0.60 0.00 0.00 178.31 178.17 3hkl h ALA 407 N 1.00 1.23 0.07 0.00 0.00 -1.54 -0.33 119.26 119.69 3hkl h ALA 407 Ca 0.15 0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.97 3hkl h ALA 407 Cb 1.46 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3hkl h ALA 407 CO 0.27 -0.42 -1.60 0.87 0.00 0.00 0.00 179.25 178.37 3hkl h LYS 408 N 0.24 0.15 0.00 0.00 1.79 -1.88 -3.41 116.57 113.46 3hkl h LYS 408 Ca 0.52 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3hkl h LYS 408 Cb 1.02 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3hkl h LYS 408 CO -0.61 0.92 -1.47 0.39 -1.08 0.00 0.00 179.45 177.60 3hkl n GLU 409 N -3.32 0.62 0.02 3.15 1.02 -0.90 -4.70 120.64 116.53 3hkl n GLU 409 Ca -0.17 -0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 56.75 3hkl n GLU 409 Cb 1.04 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.95 3hkl n GLU 409 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3hkl h TRP 410 N 0.00 0.05 -0.37 -0.32 2.91 -1.31 -2.24 115.95 114.68 3hkl h TRP 410 Ca 0.00 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.93 3hkl h TRP 410 Cb 0.71 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.32 3hkl h TRP 410 CO 0.00 0.10 -0.16 -0.07 -1.03 0.00 0.00 178.44 177.29 3hkl h LEU 411 N -0.01 0.66 -0.33 0.65 3.38 -1.84 0.17 115.31 117.99 3hkl h LEU 411 Ca 0.01 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 3hkl h LEU 411 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hkl h LEU 411 CO -0.00 0.83 -0.31 0.00 0.09 0.00 0.00 178.44 179.04 3hkl h ALA 412 N 1.23 0.49 -0.54 1.53 0.00 -1.85 0.53 119.26 120.65 3hkl h ALA 412 Ca 0.10 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3hkl h ALA 412 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3hkl h ALA 412 CO 0.04 0.53 -0.01 1.98 0.00 0.00 0.00 179.25 181.79 3hkl h MET 413 N 0.58 0.96 -0.34 0.00 1.85 -1.10 -1.53 114.93 115.34 3hkl h MET 413 Ca 0.06 -0.31 -0.05 0.00 -0.61 0.00 0.00 59.70 58.78 3hkl h MET 413 Cb 0.89 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.82 3hkl h MET 413 CO 0.08 0.97 0.01 1.49 -0.40 0.00 0.00 176.91 179.06 3hkl h GLU 414 N 0.83 0.60 -0.23 0.39 4.81 -0.60 -0.08 114.58 120.31 3hkl h GLU 414 Ca 0.15 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3hkl h GLU 414 Cb 0.55 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 3hkl h GLU 414 CO 0.03 0.72 -0.14 0.78 -0.73 0.00 0.00 179.01 179.67 3hkl h GLY 415 N 0.42 0.04 1.05 1.92 0.00 -0.83 0.43 103.07 106.09 3hkl h GLY 415 Ca 0.10 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 3hkl h GLY 415 CO 0.02 -0.15 0.30 0.50 0.00 0.00 0.00 176.54 177.20 3hkl h LYS 416 N -0.12 1.18 -0.15 4.80 1.57 -1.11 -1.37 116.57 121.36 3hkl h LYS 416 Ca 0.13 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3hkl h LYS 416 Cb 0.32 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3hkl h LYS 416 CO -0.31 0.97 -0.15 1.79 -0.57 0.00 0.00 179.45 181.18 3hkl h THR 417 N 1.14 1.34 -0.46 -0.16 1.35 -0.79 -2.04 112.91 113.30 3hkl h THR 417 Ca 0.26 -1.30 0.05 0.00 -0.55 0.00 0.00 66.41 64.87 3hkl h THR 417 Cb 0.24 1.86 -0.05 0.00 -1.73 0.00 0.00 68.15 68.47 3hkl h THR 417 CO -0.02 0.38 0.18 0.45 -0.25 0.00 0.00 175.52 176.27 3hkl h HIS 418 N -0.00 0.33 -0.21 4.73 3.86 -0.84 -2.36 115.15 120.65 3hkl h HIS 418 Ca 0.02 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 3hkl h HIS 418 Cb 0.67 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3hkl h HIS 418 CO 0.08 0.14 -0.47 0.00 0.86 0.00 0.00 177.93 178.54 3hkl h ARG 419 N 0.37 0.54 -0.35 2.45 3.08 -1.27 -1.01 114.38 118.20 3hkl h ARG 419 Ca 0.21 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3hkl h ARG 419 Cb 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3hkl h ARG 419 CO -0.20 0.90 -0.01 0.78 -1.07 0.00 0.00 179.97 180.37 3hkl h GLY 420 N 1.07 0.59 0.91 0.04 0.00 -1.27 -0.49 103.07 103.93 3hkl h GLY 420 Ca 0.03 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 3hkl h GLY 420 CO 0.09 0.34 -0.43 1.41 0.00 0.00 0.00 176.54 177.94 3hkl h LEU 421 N 0.53 0.66 -0.55 3.11 3.38 -1.11 -2.95 115.31 118.38 3hkl h LEU 421 Ca 0.11 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3hkl h LEU 421 Cb 0.36 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3hkl h LEU 421 CO 0.01 1.12 0.29 1.88 0.09 0.00 0.00 178.44 181.84 3hkl h TYR 422 N 0.22 0.76 -0.88 1.13 0.05 -1.05 -1.35 116.97 115.84 3hkl h TYR 422 Ca -0.01 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.80 3hkl h TYR 422 Cb 1.05 -0.24 -0.06 0.00 1.01 0.00 0.00 36.73 38.49 3hkl h TYR 422 CO 0.10 0.56 0.56 0.00 -1.05 0.00 0.00 178.16 178.33 3hkl h ARG 423 N 0.73 1.01 0.00 4.88 3.08 -1.14 -1.95 114.38 120.99 3hkl h ARG 423 Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3hkl h ARG 423 Cb 0.06 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3hkl h ARG 423 CO -0.03 0.67 0.00 0.43 -1.07 0.00 0.00 179.97 179.97 3hkl n SER 424 N -4.57 0.29 -0.70 7.04 7.64 -1.11 -4.90 113.62 117.30 3hkl n SER 424 Ca 0.12 0.54 -0.07 0.00 1.01 0.00 0.00 58.87 60.47 3hkl n SER 424 Cb 0.14 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.71 3hkl n SER 424 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hkl n GLY 425 N 0.84 0.55 3.72 0.23 0.00 -0.74 -5.02 105.19 104.78 3hkl n GLY 425 Ca 0.05 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3hkl n GLY 425 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hkl s MET 426 N -3.41 4.50 0.11 1.61 -1.94 -0.54 -5.03 119.30 114.59 3hkl s MET 426 Ca 0.00 1.13 -0.30 0.00 -1.71 0.00 0.00 55.69 54.81 3hkl s MET 426 Cb 0.00 -3.43 -0.06 0.00 2.01 0.00 0.00 34.83 33.35 3hkl s MET 426 CO 0.00 0.07 0.95 -1.01 -0.01 0.00 0.00 175.02 175.02 3hkl s HIS 427 N 0.68 3.81 0.15 -0.03 3.76 -1.26 -4.56 115.29 117.84 3hkl s HIS 427 Ca 0.43 1.78 -0.23 0.00 -0.15 0.00 0.00 55.06 56.90 3hkl s HIS 427 Cb -0.20 -3.04 0.07 0.00 1.11 0.00 0.00 32.58 30.52 3hkl s HIS 427 CO 0.23 0.22 0.58 -0.59 -0.85 0.00 0.00 174.74 174.33 3hkl s PHE 428 N -0.02 -0.51 -0.18 1.40 -0.12 -1.26 -5.06 117.98 112.23 3hkl s PHE 428 Ca 0.46 0.32 -0.08 0.00 -0.05 0.00 0.00 56.93 57.58 3hkl s PHE 428 Cb -0.23 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 3hkl s PHE 428 CO 0.29 -0.82 0.10 -0.51 -0.05 0.00 0.00 175.22 174.23 3hkl s LEU 429 N -2.69 4.07 0.62 -1.99 1.43 -1.26 -5.11 118.68 113.74 3hkl s LEU 429 Ca 0.01 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 3hkl s LEU 429 Cb -0.01 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 3hkl s LEU 429 CO -0.12 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 3hkl s PRO 430 N 0.13 3.11 0.29 1.29 0.04 -1.26 -4.97 135.00 133.63 3hkl s PRO 430 Ca 0.07 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 3hkl s PRO 430 Cb -0.12 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 3hkl s PRO 430 CO -0.00 -1.00 1.49 0.28 0.04 0.00 0.00 177.00 177.81 3hkl n VAL 431 N -2.11 1.25 -0.99 -0.36 0.31 -1.26 -4.93 118.33 110.24 3hkl n VAL 431 Ca 0.10 -0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 63.81 3hkl n VAL 431 Cb 0.52 -1.77 0.15 0.00 -0.91 0.00 0.00 33.84 31.83 3hkl n VAL 431 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hkl s PRO 432 N -0.85 1.24 0.10 5.55 0.02 -1.26 -4.97 135.00 134.82 3hkl s PRO 432 Ca 0.63 1.16 -0.31 0.00 0.02 0.00 0.00 61.00 62.50 3hkl s PRO 432 Cb -0.55 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.11 3hkl s PRO 432 CO 0.53 -2.35 1.53 -1.83 -0.33 0.00 0.00 177.00 174.55 3hkl s GLU 433 N -4.78 4.24 0.31 5.54 1.03 -1.26 -4.92 118.70 118.85 3hkl s GLU 433 Ca 0.64 2.23 -0.00 0.00 0.03 0.00 0.00 54.97 57.87 3hkl s GLU 433 Cb -0.20 -3.38 0.49 0.00 -0.80 0.00 0.00 34.13 30.23 3hkl s GLU 433 CO 0.58 -0.61 1.91 0.00 -1.33 0.00 0.00 175.26 175.81 3hkl h SER 435 N 0.86 0.00 1.06 0.00 4.64 -1.91 -1.37 113.55 116.83 3hkl h SER 435 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3hkl h SER 435 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3hkl h SER 435 CO -0.03 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 3hkl n LYS 436 N -3.47 0.06 -2.91 4.77 5.02 -0.92 -4.87 118.16 115.83 3hkl n LYS 436 Ca -0.02 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 3hkl n LYS 436 Cb 0.18 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3hkl n LYS 436 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hkl s LEU 437 N -3.35 3.86 0.65 -0.35 1.43 -0.52 -5.07 118.68 115.33 3hkl s LEU 437 Ca 0.13 1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 54.20 3hkl s LEU 437 Cb 0.17 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.40 3hkl s LEU 437 CO 0.52 -0.37 1.06 -2.16 0.23 0.00 0.00 176.35 175.63 3hkl s PRO 438 N -3.77 3.07 0.49 1.29 0.04 -1.26 -4.54 135.00 130.32 3hkl s PRO 438 Ca 0.51 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.45 3hkl s PRO 438 Cb -0.10 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 3hkl s PRO 438 CO 0.30 -1.00 1.00 0.45 0.04 0.00 0.00 177.00 177.80 3hkl s SER 439 N -3.26 6.50 0.52 6.66 0.15 -1.26 -0.24 113.70 122.77 3hkl s SER 439 Ca 0.61 1.78 0.29 0.00 0.70 0.00 0.00 55.95 59.33 3hkl s SER 439 Cb -0.15 -2.54 1.34 0.00 -1.71 0.00 0.00 66.02 62.96 3hkl s SER 439 CO 0.46 -0.67 1.99 0.00 1.20 0.00 0.00 173.24 176.23 3hkl h MET 440 N 1.40 0.00 0.02 5.44 -0.00 -1.92 -3.15 114.93 116.72 3hkl h MET 440 Ca -0.48 0.00 -0.26 0.00 -0.00 0.00 0.00 59.70 58.96 3hkl h MET 440 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.77 3hkl h MET 440 CO 0.60 0.11 -1.39 0.45 -0.00 0.00 0.00 176.91 176.69 3hkl h HIS 441 N 0.00 0.06 0.03 -0.10 3.86 -1.98 -3.03 115.15 113.98 3hkl h HIS 441 Ca -0.00 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3hkl h HIS 441 Cb 0.49 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 3hkl h HIS 441 CO 0.00 1.05 -0.22 0.37 0.86 0.00 0.00 177.93 179.99 3hkl h GLN 442 N 0.01 -0.29 -2.13 2.45 4.15 -1.94 -3.41 115.11 113.94 3hkl h GLN 442 Ca -0.16 0.02 -0.24 0.00 0.77 0.00 0.00 58.65 59.04 3hkl h GLN 442 Cb 1.91 0.07 -0.32 0.00 0.21 0.00 0.00 27.48 29.34 3hkl h GLN 442 CO 0.11 -0.19 -0.56 0.34 -1.93 0.00 0.00 178.83 176.60 3hkl s ASP 443 N -3.41 0.89 0.64 -0.69 2.15 -1.25 -5.04 116.67 109.96 3hkl s ASP 443 Ca -0.07 -0.15 0.27 0.00 0.43 0.00 0.00 52.55 53.03 3hkl s ASP 443 Cb 0.03 0.77 1.44 0.00 -0.30 0.00 0.00 42.92 44.86 3hkl s ASP 443 CO 0.25 -0.33 1.83 1.55 -0.17 0.00 0.00 175.17 178.31 3hkl h PRO 444 N 8.24 0.00 -0.01 4.34 0.13 -1.78 -0.54 132.00 142.37 3hkl h PRO 444 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3hkl h PRO 444 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hkl h PRO 444 CO 0.29 0.00 -0.30 0.25 -0.23 0.00 0.00 178.00 178.01 3hkl n THR 445 N -3.16 0.00 0.47 1.56 -2.24 -1.26 -4.35 114.28 105.30 3hkl n THR 445 Ca 0.02 -0.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 3hkl n THR 445 Cb 0.55 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 69.68 3hkl n THR 445 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hkl n ALA 446 N -0.15 3.08 -2.21 6.98 0.00 -0.21 -4.97 120.51 123.03 3hkl n ALA 446 Ca 0.12 -0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 3hkl n ALA 446 Cb 0.42 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 3hkl n ALA 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkl s THR 448 N -3.93 4.88 -0.31 0.00 2.01 0.73 -4.69 115.64 114.32 3hkl s THR 448 Ca 0.10 1.77 -0.15 0.00 0.31 0.00 0.00 61.69 63.72 3hkl s THR 448 Cb 0.07 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 3hkl s THR 448 CO -0.08 0.08 0.38 -0.13 -0.69 0.00 0.00 174.62 174.17 3hkl s ARG 449 N 1.73 3.79 0.10 4.92 0.52 -1.26 -1.47 118.95 127.28 3hkl s ARG 449 Ca 0.43 -0.18 -0.31 0.00 -0.52 0.00 0.00 55.73 55.15 3hkl s ARG 449 Cb -0.18 -3.73 -0.09 0.00 0.52 0.00 0.00 34.95 31.47 3hkl s ARG 449 CO 0.17 -0.41 1.60 -0.51 0.02 0.00 0.00 175.30 176.16 3hkl s LEU 450 N 2.08 4.36 0.37 2.53 1.43 -1.26 -4.86 118.68 123.33 3hkl s LEU 450 Ca 0.14 2.49 0.08 0.00 -1.03 0.00 0.00 54.13 55.81 3hkl s LEU 450 Cb -0.16 -3.57 0.80 0.00 0.03 0.00 0.00 46.19 43.29 3hkl s LEU 450 CO 0.11 -0.84 1.92 -0.65 0.23 0.00 0.00 176.35 177.11 3hkl h PRO 451 N 7.75 0.68 -1.01 1.29 0.11 -1.84 0.65 132.00 139.63 3hkl h PRO 451 Ca -0.42 -0.04 0.24 0.00 0.11 0.00 0.00 66.00 65.89 3hkl h PRO 451 Cb 1.20 -0.15 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 3hkl h PRO 451 CO 0.92 0.45 0.61 -0.92 -0.21 0.00 0.00 178.00 178.84 3hkl h TYR 452 N 0.70 0.99 -0.01 0.65 3.20 -1.91 0.13 116.97 120.72 3hkl h TYR 452 Ca 0.37 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.28 3hkl h TYR 452 Cb 0.51 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3hkl h TYR 452 CO -0.00 0.09 -0.68 1.28 -1.64 0.00 0.00 178.16 177.20 3hkl n LEU 453 N -4.84 1.48 0.00 2.82 4.77 -0.90 -5.09 117.00 115.24 3hkl n LEU 453 Ca 0.26 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3hkl n LEU 453 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3hkl n LEU 453 CO 0.18 0.31 0.00 -0.90 -1.33 0.00 0.00 177.39 175.64