#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3key s THR 313 N 0.00 0.31 0.87 0.55 -1.32 -1.26 -5.15 115.64 109.63 3key s THR 313 Ca 0.00 -0.38 -0.11 0.00 -1.21 0.00 0.00 61.69 59.99 3key s THR 313 Cb 0.00 -0.31 0.11 0.00 -1.51 0.00 0.00 72.50 70.80 3key s THR 313 CO 0.00 -0.05 1.09 -0.94 -2.21 0.00 0.00 174.62 172.51 3key s SER 314 N -0.46 3.65 0.21 8.08 1.04 -1.26 -4.82 113.70 120.15 3key s SER 314 Ca -0.02 1.67 -0.10 0.00 0.48 0.00 0.00 55.95 57.98 3key s SER 314 Cb -0.04 -2.33 0.17 0.00 0.10 0.00 0.00 66.02 63.93 3key s SER 314 CO -0.00 -2.55 1.88 0.00 0.98 0.00 0.00 173.24 173.55 3key h ALA 315 N -1.49 0.99 -0.35 5.32 0.00 -1.99 -1.30 119.26 120.44 3key h ALA 315 Ca -0.47 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3key h ALA 315 Cb 1.27 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3key h ALA 315 CO 0.52 0.39 0.11 -0.22 0.00 0.00 0.00 179.25 180.05 3key h LYS 316 N 1.05 0.25 0.00 0.00 3.64 -1.94 -1.47 116.57 118.10 3key h LYS 316 Ca 0.29 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3key h LYS 316 Cb -0.11 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3key h LYS 316 CO -0.07 0.16 -0.27 0.77 -2.27 0.00 0.00 179.45 177.78 3key h SER 317 N 0.25 0.00 -0.40 4.20 0.02 -1.81 0.28 113.55 116.09 3key h SER 317 Ca 0.16 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 3key h SER 317 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3key h SER 317 CO -0.18 0.27 -0.28 0.78 -1.14 0.00 0.00 176.83 176.28 3key h ASN 318 N 0.00 0.94 -0.51 3.07 2.35 -0.48 -0.33 115.58 120.62 3key h ASN 318 Ca -0.00 -0.43 -0.13 0.00 -0.55 0.00 0.00 56.30 55.18 3key h ASN 318 Cb 0.71 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3key h ASN 318 CO 0.04 1.17 -0.19 0.25 -1.65 0.00 0.00 177.43 177.05 3key h LEU 319 N 0.71 1.04 -0.52 1.61 5.85 -0.95 -2.28 115.31 120.78 3key h LEU 319 Ca 0.08 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.47 3key h LEU 319 Cb 0.86 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3key h LEU 319 CO 0.08 1.19 0.24 -0.03 -0.34 0.00 0.00 178.44 179.57 3key h MET 320 N 0.89 0.45 -0.13 1.25 4.05 -0.69 -0.90 114.93 119.84 3key h MET 320 Ca 0.12 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.46 3key h MET 320 Cb 0.77 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 3key h MET 320 CO 0.06 0.30 -0.17 -0.07 0.23 0.00 0.00 176.91 177.25 3key h LEU 321 N 0.46 0.21 -0.12 3.39 3.38 -0.85 -0.74 115.31 121.03 3key h LEU 321 Ca 0.24 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3key h LEU 321 Cb 0.19 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3key h LEU 321 CO -0.19 0.40 -0.05 0.40 0.09 0.00 0.00 178.44 179.08 3key h ILE 322 N 0.20 1.31 -0.79 1.22 2.04 -0.75 -2.45 117.51 118.29 3key h ILE 322 Ca 0.04 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.84 3key h ILE 322 Cb 0.43 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 3key h ILE 322 CO 0.03 0.31 0.52 -0.07 0.00 0.00 0.00 178.15 178.94 3key h LEU 323 N -0.10 0.89 -1.11 1.44 3.38 -0.86 -2.16 115.31 116.79 3key h LEU 323 Ca 0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3key h LEU 323 Cb 0.51 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3key h LEU 323 CO 0.02 0.63 0.60 0.25 0.09 0.00 0.00 178.44 180.03 3key h LEU 324 N 1.05 1.04 -0.33 1.67 5.85 -1.07 -2.70 115.31 120.82 3key h LEU 324 Ca 0.30 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3key h LEU 324 Cb -0.08 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.69 3key h LEU 324 CO -0.08 0.75 0.00 1.23 -0.34 0.00 0.00 178.44 180.00 3key h GLY 325 N 1.22 0.00 -4.41 3.75 0.00 -0.91 -3.46 103.07 99.27 3key h GLY 325 Ca 0.33 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.14 3key h GLY 325 CO -0.07 0.00 0.86 1.08 0.00 0.00 0.00 176.54 178.40 3key s LEU 326 N -5.09 4.37 -1.35 3.11 1.43 -0.99 -4.89 118.68 115.27 3key s LEU 326 Ca 0.07 2.74 -0.10 0.00 -1.03 0.00 0.00 54.13 55.82 3key s LEU 326 Cb 0.10 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.82 3key s LEU 326 CO 0.56 -0.82 2.08 0.00 0.23 0.00 0.00 176.35 178.40 3key n GLN 327 N 2.98 3.54 -3.53 1.70 1.13 -1.26 -4.85 117.38 117.09 3key n GLN 327 Ca 0.10 -3.21 -0.09 0.00 -1.94 0.00 0.00 57.00 51.86 3key n GLN 327 Cb 0.38 -2.98 -0.02 0.00 0.11 0.00 0.00 30.24 27.74 3key n GLN 327 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3key s MET 328 N 1.02 1.04 0.06 -1.09 0.23 -1.26 -5.06 119.30 114.24 3key s MET 328 Ca 0.44 -0.43 0.23 0.00 -1.03 0.00 0.00 55.69 54.90 3key s MET 328 Cb 0.12 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.85 3key s MET 328 CO -0.03 -0.46 0.95 1.63 -2.03 0.00 0.00 175.02 175.08 3key n LYS 329 N -0.32 0.38 -3.68 3.16 5.02 -1.26 -4.87 118.16 116.60 3key n LYS 329 Ca -0.10 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 3key n LYS 329 Cb 0.62 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 3key n LYS 329 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3key s GLU 330 N -3.26 1.08 -0.21 1.97 -1.05 -1.26 -0.85 118.70 115.11 3key s GLU 330 Ca 0.01 -0.77 -0.22 0.00 -0.15 0.00 0.00 54.97 53.85 3key s GLU 330 Cb 0.14 0.46 0.06 0.00 -0.44 0.00 0.00 34.13 34.34 3key s GLU 330 CO 0.82 -0.42 0.61 -1.50 0.95 0.00 0.00 175.26 175.72 3key s ILE 331 N -3.82 0.00 0.53 1.83 2.07 -0.86 -4.96 121.20 115.98 3key s ILE 331 Ca 0.04 -0.01 -0.15 0.00 -1.41 0.00 0.00 60.65 59.12 3key s ILE 331 Cb 0.02 -0.86 -0.07 0.00 0.13 0.00 0.00 42.46 41.68 3key s ILE 331 CO -0.11 -0.01 0.98 -0.94 -1.91 0.00 0.00 174.94 172.95 3key s SER 332 N 0.16 6.54 0.25 4.50 1.04 -1.26 -0.54 113.70 124.39 3key s SER 332 Ca -0.01 1.51 -0.03 0.00 0.48 0.00 0.00 55.95 57.89 3key s SER 332 Cb -0.04 -2.49 0.44 0.00 0.10 0.00 0.00 66.02 64.04 3key s SER 332 CO 0.02 -0.63 1.80 -1.13 0.98 0.00 0.00 173.24 174.28 3key h ASN 333 N 0.70 0.68 -0.16 7.02 -1.24 -1.24 -0.79 115.58 120.55 3key h ASN 333 Ca -0.46 0.06 -0.16 0.00 0.71 0.00 0.00 56.30 56.44 3key h ASN 333 Cb 1.19 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.16 3key h ASN 333 CO 0.62 0.37 -0.49 0.77 -1.29 0.00 0.00 177.43 177.40 3key h SER 334 N 0.78 0.80 -0.03 1.15 4.64 -1.91 -2.16 113.55 116.83 3key h SER 334 Ca 0.42 -0.41 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 3key h SER 334 Cb 0.43 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3key h SER 334 CO -0.27 1.16 -0.43 0.44 -0.87 0.00 0.00 176.83 176.86 3key h ASP 335 N 0.58 0.60 -0.35 4.97 3.32 -1.82 -2.99 116.42 120.73 3key h ASP 335 Ca 0.03 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 3key h ASP 335 Cb 1.06 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3key h ASP 335 CO 0.10 0.95 0.05 0.25 -1.72 0.00 0.00 179.24 178.88 3key h LEU 336 N 0.46 0.56 -2.34 1.55 5.85 -1.08 -2.85 115.31 117.45 3key h LEU 336 Ca 0.03 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3key h LEU 336 Cb 0.94 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 3key h LEU 336 CO 0.08 0.68 -0.02 0.22 -0.34 0.00 0.00 178.44 179.06 3key h TYR 337 N 0.41 0.00 0.00 1.25 5.03 -1.35 -2.29 116.97 120.01 3key h TYR 337 Ca 0.11 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.42 3key h TYR 337 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.64 3key h TYR 337 CO 0.02 0.02 -0.18 1.63 -1.32 0.00 0.00 178.16 178.34 3key n LYS 338 N -3.24 0.08 -2.21 1.82 5.02 -1.08 -4.52 118.16 114.03 3key n LYS 338 Ca -0.02 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3key n LYS 338 Cb 0.17 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3key n LYS 338 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3key s LEU 339 N -3.44 4.40 0.14 -0.35 1.43 -0.86 -4.93 118.68 115.07 3key s LEU 339 Ca 0.12 2.37 -0.23 0.00 -1.03 0.00 0.00 54.13 55.36 3key s LEU 339 Cb 0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3key s LEU 339 CO 0.60 -0.55 1.64 0.50 0.23 0.00 0.00 176.35 178.77 3key h LYS 340 N 5.76 -0.25 -0.93 1.70 3.64 -1.90 -0.80 116.57 123.80 3key h LYS 340 Ca -0.44 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.08 3key h LYS 340 Cb 1.21 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.02 3key h LYS 340 CO 0.80 -0.17 0.59 0.93 -2.27 0.00 0.00 179.45 179.33 3key h GLU 341 N -0.26 0.83 -0.32 1.90 5.08 -1.96 -1.73 114.58 118.12 3key h GLU 341 Ca 0.11 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3key h GLU 341 Cb 0.43 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3key h GLU 341 CO -0.32 0.55 -0.15 0.28 -1.00 0.00 0.00 179.01 178.37 3key h VAL 342 N 0.85 1.29 -0.81 3.13 2.07 -1.57 -2.97 116.25 118.25 3key h VAL 342 Ca 0.46 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.76 3key h VAL 342 Cb 0.55 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3key h VAL 342 CO -0.22 0.40 0.53 0.03 0.02 0.00 0.00 177.57 178.34 3key h ARG 343 N 0.42 0.94 -0.03 1.57 2.47 -0.33 -0.36 114.38 119.07 3key h ARG 343 Ca 0.07 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3key h ARG 343 Cb 0.68 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 3key h ARG 343 CO 0.05 0.62 0.01 0.77 0.56 0.00 0.00 179.97 181.98 3key h SER 344 N 0.97 0.01 -0.40 7.04 0.02 -1.27 0.27 113.55 120.19 3key h SER 344 Ca 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 3key h SER 344 Cb 0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3key h SER 344 CO -0.10 0.01 0.23 0.58 -1.14 0.00 0.00 176.83 176.41 3key h VAL 345 N 0.02 1.14 -0.33 2.27 2.07 -1.30 -2.16 116.25 117.97 3key h VAL 345 Ca 0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3key h VAL 345 Cb 0.01 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3key h VAL 345 CO -0.01 0.15 0.14 0.58 0.02 0.00 0.00 177.57 178.45 3key h VAL 346 N 0.52 1.18 -0.66 2.57 2.07 -0.76 -1.74 116.25 119.42 3key h VAL 346 Ca 0.14 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3key h VAL 346 Cb 0.03 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3key h VAL 346 CO -0.02 0.19 0.42 0.74 0.02 0.00 0.00 177.57 178.91 3key h THR 347 N 0.39 1.18 -0.37 2.57 2.02 -0.41 0.17 112.91 118.47 3key h THR 347 Ca 0.11 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3key h THR 347 Cb 0.16 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3key h THR 347 CO -0.01 0.18 0.22 -1.28 0.37 0.00 0.00 175.52 175.00 3key h SER 348 N 0.89 0.44 -0.20 4.18 0.87 -1.21 -1.94 113.55 116.58 3key h SER 348 Ca 0.24 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 3key h SER 348 Cb -0.07 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3key h SER 348 CO -0.05 0.36 -0.20 0.25 -0.53 0.00 0.00 176.83 176.67 3key h LEU 349 N 0.48 0.63 -1.11 2.23 6.46 -0.98 -2.84 115.31 120.19 3key h LEU 349 Ca 0.13 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 3key h LEU 349 Cb -0.00 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 3key h LEU 349 CO -0.03 0.83 0.27 0.00 -0.62 0.00 0.00 178.44 178.90 3key h ALA 350 N 1.22 1.30 -0.00 1.25 0.00 -0.26 -0.75 119.26 122.02 3key h ALA 350 Ca 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3key h ALA 350 Cb 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3key h ALA 350 CO 0.05 0.53 -0.29 0.66 0.00 0.00 0.00 179.25 180.19 3key h SER 351 N 0.90 0.01 -0.23 0.00 4.64 -1.12 0.46 113.55 118.20 3key h SER 351 Ca 0.22 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 3key h SER 351 Cb 0.14 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3key h SER 351 CO -0.02 0.30 -0.39 0.15 -0.87 0.00 0.00 176.83 176.00 3key h PHE 352 N 0.01 0.83 -0.42 4.77 3.04 -1.16 -2.99 116.94 121.01 3key h PHE 352 Ca -0.00 -0.29 -0.04 0.00 3.98 0.00 0.00 57.97 61.62 3key h PHE 352 Cb 0.52 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 3key h PHE 352 CO 0.00 1.05 0.09 -0.07 -2.02 0.00 0.00 178.31 177.36 3key h LEU 353 N 0.37 0.59 -0.52 0.59 3.38 -0.34 -2.13 115.31 117.24 3key h LEU 353 Ca 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3key h LEU 353 Cb 0.98 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3key h LEU 353 CO 0.09 0.60 0.34 0.15 0.09 0.00 0.00 178.44 179.71 3key h PHE 354 N 0.62 0.66 -0.23 1.13 3.57 -0.87 -2.37 116.94 119.44 3key h PHE 354 Ca 0.14 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 3key h PHE 354 Cb 0.26 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3key h PHE 354 CO 0.01 0.42 -0.15 1.96 -2.23 0.00 0.00 178.31 178.33 3key h GLN 355 N 0.71 0.39 0.00 1.11 4.20 -1.30 -2.85 115.11 117.37 3key h GLN 355 Ca 0.19 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3key h GLN 355 Cb -0.08 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3key h GLN 355 CO -0.04 0.54 0.00 1.04 -0.67 0.00 0.00 178.83 179.70 3key n GLN 356 N -4.21 0.17 -1.75 1.46 1.13 -0.84 -4.87 117.38 108.46 3key n GLN 356 Ca 0.00 0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 3key n GLN 356 Cb 0.32 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.15 3key n GLN 356 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3key n GLN 357 N -1.41 2.74 -1.21 -1.09 6.02 -0.95 -4.96 117.38 116.53 3key n GLN 357 Ca 0.09 0.98 -0.31 0.00 -0.01 0.00 0.00 57.00 57.75 3key n GLN 357 Cb 0.28 -2.77 0.11 0.00 1.02 0.00 0.00 30.24 28.88 3key n GLN 357 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3key s ASN 358 N 0.54 4.20 0.29 1.08 0.01 -1.26 -4.86 114.94 114.94 3key s ASN 358 Ca 0.64 1.79 -0.30 0.00 -0.71 0.00 0.00 52.86 54.29 3key s ASN 358 Cb -0.49 -2.46 -0.13 0.00 0.41 0.00 0.00 41.25 38.58 3key s ASN 358 CO 0.48 -2.22 1.37 0.55 -1.51 0.00 0.00 177.10 175.77 3key n VAL 359 N -3.64 1.43 0.00 1.60 3.14 -1.26 -0.66 118.33 118.94 3key n VAL 359 Ca 0.09 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 3key n VAL 359 Cb 0.53 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.74 3key n VAL 359 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3key n GLY 360 N 1.53 2.17 3.54 7.55 0.00 -1.26 -5.00 105.19 113.72 3key n GLY 360 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3key n GLY 360 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3key s VAL 361 N -2.58 4.83 -0.35 1.61 1.01 0.16 -5.03 120.40 120.05 3key s VAL 361 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3key s VAL 361 Cb 0.00 -3.27 0.15 0.00 0.00 0.00 0.00 36.38 33.26 3key s VAL 361 CO 0.00 0.32 0.33 -0.04 0.00 0.00 0.00 175.10 175.70 3key s MET 362 N 1.50 0.53 0.36 2.72 -1.94 -1.26 -4.57 119.30 116.64 3key s MET 362 Ca 0.06 -0.74 0.01 0.00 -1.71 0.00 0.00 55.69 53.31 3key s MET 362 Cb -0.15 -0.80 -0.03 0.00 2.01 0.00 0.00 34.83 35.86 3key s MET 362 CO 0.06 -1.15 0.56 0.15 -0.01 0.00 0.00 175.02 174.64 3key s LYS 363 N 1.63 3.42 0.66 2.03 1.02 -1.26 -5.07 119.74 122.17 3key s LYS 363 Ca 0.15 -0.37 -0.17 0.00 0.02 0.00 0.00 55.97 55.60 3key s LYS 363 Cb -0.16 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.50 3key s LYS 363 CO -0.11 0.09 1.19 -1.54 -0.92 0.00 0.00 175.35 174.06 3key s SER 364 N -4.06 4.79 0.26 2.83 1.04 -1.26 -4.84 113.70 112.46 3key s SER 364 Ca 0.41 2.32 -0.04 0.00 0.48 0.00 0.00 55.95 59.12 3key s SER 364 Cb -0.10 -2.59 0.32 0.00 0.10 0.00 0.00 66.02 63.76 3key s SER 364 CO 0.36 -1.86 1.87 0.15 0.98 0.00 0.00 173.24 174.74 3key h PHE 365 N 0.30 1.08 -0.95 5.02 3.57 -1.99 -0.96 116.94 123.01 3key h PHE 365 Ca -0.49 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 60.99 3key h PHE 365 Cb 1.29 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 3key h PHE 365 CO 0.48 0.77 0.63 0.22 -2.23 0.00 0.00 178.31 178.18 3key h ASP 366 N 1.08 1.07 -0.65 0.41 1.82 -1.99 0.16 116.42 118.32 3key h ASP 366 Ca 0.27 -0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.81 3key h ASP 366 Cb 0.09 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.81 3key h ASP 366 CO -0.04 0.76 0.12 -1.28 -1.61 0.00 0.00 179.24 177.20 3key h SER 367 N 1.26 1.02 -0.24 2.28 0.87 -1.69 -1.73 113.55 115.31 3key h SER 367 Ca 0.36 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3key h SER 367 Cb -0.11 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.56 3key h SER 367 CO -0.09 1.01 -0.06 -0.07 -0.53 0.00 0.00 176.83 177.09 3key h LEU 368 N 0.98 0.58 -0.34 2.23 3.38 0.10 -1.84 115.31 120.40 3key h LEU 368 Ca 0.20 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3key h LEU 368 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3key h LEU 368 CO 0.01 0.69 -0.11 -0.33 0.09 0.00 0.00 178.44 178.80 3key h GLU 369 N 0.56 0.68 -0.21 1.13 5.08 -0.33 -0.25 114.58 121.24 3key h GLU 369 Ca 0.11 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3key h GLU 369 Cb 0.45 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3key h GLU 369 CO 0.02 0.85 -0.16 0.87 -1.00 0.00 0.00 179.01 179.59 3key h LYS 370 N 0.46 0.36 -0.13 2.33 1.57 -1.15 -0.07 116.57 119.94 3key h LYS 370 Ca 0.08 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 3key h LYS 370 Cb 0.62 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3key h LYS 370 CO 0.04 0.52 -0.63 1.49 -0.57 0.00 0.00 179.45 180.30 3key h GLU 371 N 0.33 0.45 -0.30 3.15 4.81 -1.14 -2.19 114.58 119.69 3key h GLU 371 Ca 0.06 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 3key h GLU 371 Cb 0.49 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3key h GLU 371 CO 0.03 0.94 -0.04 0.00 -0.73 0.00 0.00 179.01 179.21 3key h ALA 372 N 0.98 0.40 -0.66 2.92 0.00 -0.42 -1.46 119.26 121.04 3key h ALA 372 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3key h ALA 372 Cb 1.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3key h ALA 372 CO 0.11 0.19 0.40 0.35 0.00 0.00 0.00 179.25 180.30 3key h PHE 373 N 0.33 0.86 -0.62 0.00 3.57 -1.00 -1.05 116.94 119.03 3key h PHE 373 Ca 0.08 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 3key h PHE 373 Cb 0.50 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3key h PHE 373 CO 0.04 0.58 0.07 -0.09 -2.23 0.00 0.00 178.31 176.69 3key h ARG 374 N 0.89 1.03 -0.41 1.11 2.43 -1.30 -1.65 114.38 116.48 3key h ARG 374 Ca 0.24 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3key h ARG 374 Cb -0.03 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3key h ARG 374 CO -0.04 0.97 0.13 -0.44 -1.51 0.00 0.00 179.97 179.07 3key h ASP 375 N 0.96 0.60 0.07 -3.80 3.45 -0.79 -0.47 116.42 116.43 3key h ASP 375 Ca 0.19 -0.21 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 3key h ASP 375 Cb 0.45 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3key h ASP 375 CO 0.02 0.64 -0.03 -0.07 -1.57 0.00 0.00 179.24 178.23 3key h LEU 376 N 0.51 -0.08 -0.78 1.55 3.38 -1.03 -0.56 115.31 118.31 3key h LEU 376 Ca 0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3key h LEU 376 Cb 0.26 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3key h LEU 376 CO -0.00 0.06 0.40 -0.37 0.09 0.00 0.00 178.44 178.62 3key h VAL 377 N -0.22 1.24 -0.29 1.22 -1.51 -1.27 -2.28 116.25 113.13 3key h VAL 377 Ca -0.01 -0.64 -0.05 0.00 -1.23 0.00 0.00 66.70 64.77 3key h VAL 377 Cb 0.19 0.23 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 3key h VAL 377 CO 0.02 0.28 -0.04 0.78 -1.23 0.00 0.00 177.57 177.37 3key h ASN 378 N 1.09 0.43 -0.60 4.19 2.35 -0.94 -0.98 115.58 121.12 3key h ASN 378 Ca 0.27 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 3key h ASN 378 Cb 0.08 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3key h ASN 378 CO -0.04 0.53 0.22 0.03 -1.65 0.00 0.00 177.43 176.52 3key h ARG 379 N 0.44 0.91 -0.07 0.81 3.08 -0.54 0.18 114.38 119.18 3key h ARG 379 Ca 0.09 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3key h ARG 379 Cb 0.35 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3key h ARG 379 CO 0.01 0.79 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.63 3key h LEU 380 N 0.84 0.13 -1.10 3.04 3.38 -1.07 -2.42 115.31 118.11 3key h LEU 380 Ca 0.20 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3key h LEU 380 Cb 0.24 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3key h LEU 380 CO -0.01 0.42 0.60 0.58 0.09 0.00 0.00 178.44 180.12 3key h VAL 381 N -0.17 1.24 0.00 1.22 2.07 -1.12 -1.57 116.25 117.92 3key h VAL 381 Ca 0.02 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 3key h VAL 381 Cb 0.36 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3key h VAL 381 CO 0.00 0.23 -0.13 -1.28 0.02 0.00 0.00 177.57 176.42 3key h SER 382 N 1.24 0.00 0.03 0.57 0.87 -0.81 -1.49 113.55 113.96 3key h SER 382 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3key h SER 382 Cb -0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3key h SER 382 CO -0.07 0.13 -0.11 0.00 -0.53 0.00 0.00 176.83 176.24 3key n GLN 383 N -4.12 1.64 -1.00 2.24 6.02 -0.80 -4.88 117.38 116.48 3key n GLN 383 Ca -0.02 -1.15 -0.00 0.00 -0.01 0.00 0.00 57.00 55.81 3key n GLN 383 Cb 0.21 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 29.99 3key n GLN 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3key n GLY 384 N 1.29 0.49 0.18 1.08 0.00 -0.56 -1.98 105.19 105.68 3key n GLY 384 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3key n GLY 384 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3key h LEU 385 N 0.00 0.25 -8.07 0.99 3.38 -1.53 -3.41 115.31 106.92 3key h LEU 385 Ca -0.00 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 3key h LEU 385 Cb 0.01 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 40.52 3key h LEU 385 CO 0.00 0.71 -0.65 0.27 0.09 0.00 0.00 178.44 178.87 3key s ILE 386 N -3.97 0.16 0.29 1.22 -4.36 -1.24 -1.93 121.20 111.36 3key s ILE 386 Ca -0.04 -1.34 0.11 0.00 -0.26 0.00 0.00 60.65 59.12 3key s ILE 386 Cb 0.13 -0.96 -0.05 0.00 1.25 0.00 0.00 42.46 42.83 3key s ILE 386 CO 0.78 -0.74 -0.18 -0.83 0.24 0.00 0.00 174.94 174.22 3key s GLY 387 N -2.26 1.92 -0.68 6.27 0.00 -1.08 -4.08 107.32 107.41 3key s GLY 387 Ca -0.03 -1.90 -0.20 0.00 0.00 0.00 0.00 44.72 42.58 3key s GLY 387 CO -0.06 -1.97 0.89 -2.27 0.00 0.00 0.00 173.10 169.69 3key s LEU 388 N -3.51 4.95 0.34 0.66 2.96 -1.26 0.94 118.68 123.75 3key s LEU 388 Ca 0.30 -1.38 0.15 0.00 -0.22 0.00 0.00 54.13 52.97 3key s LEU 388 Cb -0.03 -2.36 0.59 0.00 0.50 0.00 0.00 46.19 44.88 3key s LEU 388 CO 0.15 -1.23 1.71 0.07 -1.32 0.00 0.00 176.35 175.73 3key h LYS 389 N 9.25 0.00 -2.54 1.98 2.10 -1.19 -3.42 116.57 122.75 3key h LYS 389 Ca -0.21 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.10 3key h LYS 389 Cb 1.07 0.00 -0.36 0.00 -0.90 0.00 0.00 32.23 32.04 3key h LYS 389 CO 1.13 0.46 -0.64 0.34 -2.00 0.00 0.00 179.45 178.73 3key s ASP 390 N -6.66 1.57 0.07 7.07 2.15 -0.98 -5.00 116.67 114.89 3key s ASP 390 Ca -0.01 -0.35 -0.23 0.00 0.43 0.00 0.00 52.55 52.40 3key s ASP 390 Cb 0.12 0.31 -0.14 0.00 -0.30 0.00 0.00 42.92 42.92 3key s ASP 390 CO 0.72 -0.34 1.62 0.50 -0.17 0.00 0.00 175.17 177.50 3key h LYS 391 N 8.32 0.10 -0.92 4.34 1.63 -1.86 0.12 116.57 128.30 3key h LYS 391 Ca -0.17 -0.02 0.14 0.00 -0.85 0.00 0.00 60.65 59.76 3key h LYS 391 Cb 1.14 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.66 3key h LYS 391 CO 0.29 0.21 0.53 0.00 -3.45 0.00 0.00 179.45 177.04 3key h THR 392 N -0.04 0.81 -0.02 1.00 1.03 -1.98 -1.05 112.91 112.65 3key h THR 392 Ca 0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 3key h THR 392 Cb 0.15 -0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.18 3key h THR 392 CO -0.00 0.14 -0.16 -1.54 -0.01 0.00 0.00 175.52 173.95 3key n SER 393 N -4.76 2.45 -3.57 0.00 3.41 -1.20 -4.98 113.62 104.98 3key n SER 393 Ca 0.18 -1.74 -0.21 0.00 -0.26 0.00 0.00 58.87 56.84 3key n SER 393 Cb 0.41 0.15 0.05 0.00 -0.26 0.00 0.00 64.21 64.57 3key n SER 393 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3key n GLU 394 N 0.71 -3.86 -4.15 4.33 -0.58 0.29 -4.59 120.64 112.78 3key n GLU 394 Ca 0.13 0.67 -0.34 0.00 -0.42 0.00 0.00 57.16 57.20 3key n GLU 394 Cb 0.52 -5.21 -0.10 0.00 -0.57 0.00 0.00 31.44 26.08 3key n GLU 394 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3key s THR 395 N -3.53 4.50 -0.01 2.62 2.01 -0.40 -0.84 115.64 119.99 3key s THR 395 Ca 0.19 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.97 3key s THR 395 Cb -0.05 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 3key s THR 395 CO 0.80 0.49 0.27 -0.36 -0.69 0.00 0.00 174.62 175.12 3key s PHE 396 N 0.23 3.60 -0.23 4.92 0.40 0.30 -0.67 117.98 126.53 3key s PHE 396 Ca 0.02 0.63 -0.17 0.00 -0.60 0.00 0.00 56.93 56.80 3key s PHE 396 Cb -0.13 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 3key s PHE 396 CO 0.01 0.63 0.47 0.34 0.70 0.00 0.00 175.22 177.38 3key s ASP 397 N -1.51 6.46 0.00 1.36 2.15 0.27 -2.03 116.67 123.36 3key s ASP 397 Ca 0.25 0.55 0.23 0.00 0.43 0.00 0.00 52.55 54.01 3key s ASP 397 Cb -0.13 -2.27 0.05 0.00 -0.30 0.00 0.00 42.92 40.27 3key s ASP 397 CO 0.14 -0.19 1.11 0.18 -0.17 0.00 0.00 175.17 176.24 3key n LEU 398 N 5.00 1.48 -0.16 -1.34 4.77 -0.03 -2.62 117.00 124.10 3key n LEU 398 Ca -0.06 -0.56 0.01 0.00 -0.03 0.00 0.00 56.01 55.37 3key n LEU 398 Cb 0.50 -0.03 0.27 0.00 -2.33 0.00 0.00 43.42 41.83 3key n LEU 398 CO 0.40 0.30 1.18 -0.07 -1.33 0.00 0.00 177.39 177.87 3key h LEU 399 N 1.35 0.77 -0.53 2.23 3.38 -1.90 -2.21 115.31 118.39 3key h LEU 399 Ca 0.00 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3key h LEU 399 Cb 0.63 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3key h LEU 399 CO 0.00 0.59 0.31 -0.65 0.09 0.00 0.00 178.44 178.78 3key h PRO 400 N 0.89 0.59 -0.02 1.13 0.11 -1.81 0.89 132.00 133.78 3key h PRO 400 Ca 0.23 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 3key h PRO 400 Cb -0.03 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 3key h PRO 400 CO -0.04 0.39 0.01 1.25 -0.21 0.00 0.00 178.00 179.40 3key h LEU 401 N 0.61 0.03 -0.96 2.35 5.85 -0.98 -0.15 115.31 122.07 3key h LEU 401 Ca 0.22 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3key h LEU 401 Cb 0.04 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3key h LEU 401 CO -0.11 0.13 -0.21 0.11 -0.34 0.00 0.00 178.44 178.01 3key h LYS 402 N -0.07 0.51 -0.10 1.25 1.57 -1.25 -1.73 116.57 116.76 3key h LYS 402 Ca 0.01 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.46 3key h LYS 402 Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3key h LYS 402 CO -0.00 0.70 -0.58 -0.91 -0.57 0.00 0.00 179.45 178.08 3key h ASN 403 N 0.46 0.37 -0.57 0.86 2.35 -0.68 -1.99 115.58 116.38 3key h ASN 403 Ca 0.07 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 3key h ASN 403 Cb 0.63 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3key h ASN 403 CO 0.04 0.87 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.55 3key h LEU 404 N 0.25 1.05 -0.52 1.61 3.38 -0.70 -0.95 115.31 119.43 3key h LEU 404 Ca -0.00 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3key h LEU 404 Cb 1.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3key h LEU 404 CO 0.10 1.13 -0.07 -0.26 0.09 0.00 0.00 178.44 179.43 3key h PHE 405 N 0.94 1.07 -0.11 1.13 0.04 -1.23 -0.88 116.94 117.89 3key h PHE 405 Ca 0.15 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 3key h PHE 405 Cb 0.64 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3key h PHE 405 CO 0.04 1.00 0.06 0.93 -0.60 0.00 0.00 178.31 179.75 3key h GLU 406 N 0.83 0.16 -0.34 1.51 5.08 -1.20 -0.51 114.58 120.11 3key h GLU 406 Ca 0.14 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3key h GLU 406 Cb 0.62 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 3key h GLU 406 CO 0.04 0.19 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.28 3key h TYR 407 N 0.09 -0.08 -0.32 4.33 5.03 -1.00 -1.17 116.97 123.84 3key h TYR 407 Ca 0.04 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 3key h TYR 407 Cb 0.07 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 3key h TYR 407 CO -0.04 -0.10 0.15 0.00 -1.32 0.00 0.00 178.16 176.85 3key h ALA 408 N 1.31 0.42 -0.62 1.82 0.00 -0.97 -1.25 119.26 119.97 3key h ALA 408 Ca 0.16 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3key h ALA 408 Cb 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3key h ALA 408 CO -0.31 -0.01 0.34 0.93 0.00 0.00 0.00 179.25 180.20 3key h GLU 409 N 0.38 0.61 -0.41 0.00 5.08 -0.72 -0.21 114.58 119.31 3key h GLU 409 Ca 0.11 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3key h GLU 409 Cb 0.13 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3key h GLU 409 CO -0.01 0.40 -0.01 0.87 -1.00 0.00 0.00 179.01 179.26 3key h LYS 410 N 0.63 0.73 -0.01 2.33 1.57 -1.08 -0.84 116.57 119.90 3key h LYS 410 Ca 0.28 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3key h LYS 410 Cb 0.17 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3key h LYS 410 CO -0.18 0.82 0.01 -0.09 -0.57 0.00 0.00 179.45 179.44 3key h ARG 411 N 0.56 0.02 -0.65 3.15 9.65 -0.82 -1.43 114.38 124.86 3key h ARG 411 Ca 0.12 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 3key h ARG 411 Cb 0.50 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 3key h ARG 411 CO 0.02 0.05 0.42 0.82 2.80 0.00 0.00 179.97 184.08 3key h ILE 412 N -0.02 1.13 -0.21 1.20 2.04 -1.01 -1.46 117.51 119.17 3key h ILE 412 Ca 0.01 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3key h ILE 412 Cb 0.04 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3key h ILE 412 CO -0.00 0.15 0.07 -1.28 0.00 0.00 0.00 178.15 177.09 3key h SER 413 N 0.84 0.08 -0.46 1.72 0.87 -0.85 -1.51 113.55 114.24 3key h SER 413 Ca 0.25 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 3key h SER 413 Cb -0.04 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3key h SER 413 CO -0.08 0.07 -0.20 1.62 -0.53 0.00 0.00 176.83 177.72 3key h VAL 414 N 0.17 1.27 -0.76 2.23 3.04 -1.04 -2.01 116.25 119.15 3key h VAL 414 Ca 0.09 -1.36 0.01 0.00 -1.01 0.00 0.00 66.70 64.44 3key h VAL 414 Cb 0.06 1.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.41 3key h VAL 414 CO -0.09 0.47 0.50 -0.07 -1.01 0.00 0.00 177.57 177.36 3key h LEU 415 N 0.84 0.85 -0.49 3.16 3.38 -1.05 -1.78 115.31 120.23 3key h LEU 415 Ca 0.11 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3key h LEU 415 Cb 0.77 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3key h LEU 415 CO 0.06 0.61 0.03 0.24 0.09 0.00 0.00 178.44 179.47 3key h MET 416 N 1.01 0.84 0.00 1.13 2.86 -1.16 -0.76 114.93 118.85 3key h MET 416 Ca 0.29 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3key h MET 416 Cb -0.08 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 3key h MET 416 CO -0.07 0.87 -0.05 0.87 1.06 0.00 0.00 176.91 179.58 3key h LYS 417 N 0.70 0.00 -0.11 1.72 1.57 -0.88 -0.20 116.57 119.37 3key h LYS 417 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3key h LYS 417 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3key h LYS 417 CO 0.02 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3key n LEU 418 N -3.39 3.09 -3.82 2.94 4.77 -0.71 -4.97 117.00 114.91 3key n LEU 418 Ca -0.02 -1.11 -0.25 0.00 -0.03 0.00 0.00 56.01 54.60 3key n LEU 418 Cb 0.18 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3key n LEU 418 CO 0.26 0.55 -0.04 1.67 -1.33 0.00 0.00 177.39 178.51 3key n GLN 419 N 1.37 -4.80 -2.94 3.23 7.27 -0.09 -4.95 117.38 116.47 3key n GLN 419 Ca 0.15 0.57 -0.40 0.00 0.07 0.00 0.00 57.00 57.39 3key n GLN 419 Cb 0.60 -5.17 -0.05 0.00 2.41 0.00 0.00 30.24 28.03 3key n GLN 419 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3key n TYR 421 N 3.31 0.74 -3.69 0.00 4.02 -1.26 -4.57 117.16 115.71 3key n TYR 421 Ca -0.00 0.25 -0.13 0.00 -0.01 0.00 0.00 57.90 58.00 3key n TYR 421 Cb 0.51 -1.02 -0.13 0.00 -0.02 0.00 0.00 39.34 38.68 3key n TYR 421 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3key s THR 422 N -2.92 -0.26 -0.02 -0.72 2.01 -1.25 -0.44 115.64 112.03 3key s THR 422 Ca -0.05 0.24 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 3key s THR 422 Cb 0.09 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.20 3key s THR 422 CO 0.82 0.10 0.11 -0.83 -0.69 0.00 0.00 174.62 174.14 3key s GLY 423 N 1.98 0.01 0.07 4.40 0.00 -0.63 -4.98 107.32 108.17 3key s GLY 423 Ca -0.02 0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.63 3key s GLY 423 CO -0.08 -0.05 0.39 -1.59 0.00 0.00 0.00 173.10 171.77 3key s THR 424 N -0.72 5.11 -0.26 0.90 2.01 -1.26 -0.66 115.64 120.75 3key s THR 424 Ca -0.08 0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3key s THR 424 Cb -0.05 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 68.89 3key s THR 424 CO 0.01 0.31 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.54 3key s VAL 425 N -1.38 1.57 -0.00 3.82 1.01 -0.50 -4.98 120.40 119.94 3key s VAL 425 Ca 0.32 -1.45 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 3key s VAL 425 Cb -0.14 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3key s VAL 425 CO 0.18 -0.27 0.85 -1.10 0.00 0.00 0.00 175.10 174.75 3key s GLN 426 N 1.34 4.52 0.18 2.72 -0.21 -1.26 -1.16 119.66 125.79 3key s GLN 426 Ca -0.01 1.19 -0.13 0.00 0.02 0.00 0.00 55.36 56.43 3key s GLN 426 Cb -0.19 -3.43 0.15 0.00 1.00 0.00 0.00 33.01 30.54 3key s GLN 426 CO -0.09 0.07 1.75 1.25 -2.12 0.00 0.00 175.29 176.15 3key h LEU 427 N 6.49 0.20 -1.32 2.90 5.85 -1.35 -1.90 115.31 126.19 3key h LEU 427 Ca -0.42 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.42 3key h LEU 427 Cb 1.21 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 3key h LEU 427 CO 0.74 0.15 0.51 0.77 -0.34 0.00 0.00 178.44 180.27 3key h SER 428 N 0.37 0.73 -0.52 1.25 4.64 -1.93 -0.21 113.55 117.87 3key h SER 428 Ca 0.23 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 3key h SER 428 Cb 0.22 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3key h SER 428 CO -0.22 0.47 0.08 0.45 -0.87 0.00 0.00 176.83 176.74 3key h HIS 429 N 0.82 0.92 -0.56 4.77 3.86 -1.73 -0.78 115.15 122.46 3key h HIS 429 Ca 0.34 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.35 3key h HIS 429 Cb 0.25 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3key h HIS 429 CO -0.00 0.83 0.09 0.28 0.86 0.00 0.00 177.93 179.99 3key h VAL 430 N 0.75 1.25 -0.68 2.45 2.07 -0.94 0.22 116.25 121.38 3key h VAL 430 Ca 0.16 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 3key h VAL 430 Cb 0.40 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3key h VAL 430 CO 0.01 0.35 0.27 1.56 0.02 0.00 0.00 177.57 179.78 3key h GLN 431 N 0.82 1.02 -0.19 1.57 4.20 -0.85 -2.35 115.11 119.32 3key h GLN 431 Ca 0.17 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 3key h GLN 431 Cb 0.41 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3key h GLN 431 CO 0.01 0.85 -0.28 1.49 -0.67 0.00 0.00 178.83 180.23 3key h GLU 432 N 0.97 0.53 -0.79 1.46 4.57 -0.99 0.14 114.58 120.47 3key h GLU 432 Ca 0.23 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3key h GLU 432 Cb 0.21 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3key h GLU 432 CO -0.02 0.91 0.39 -0.22 -1.18 0.00 0.00 179.01 178.89 3key h LYS 433 N 0.19 1.11 -0.13 1.92 1.63 -0.90 -3.13 116.57 117.26 3key h LYS 433 Ca 0.02 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3key h LYS 433 Cb 0.85 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 3key h LYS 433 CO 0.06 0.84 0.00 1.28 -3.45 0.00 0.00 179.45 178.19 3key n LEU 434 N -4.33 2.46 -3.62 5.20 4.77 -0.89 -4.99 117.00 115.61 3key n LEU 434 Ca 0.08 -1.24 -0.21 0.00 -0.03 0.00 0.00 56.01 54.61 3key n LEU 434 Cb 0.13 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3key n LEU 434 CO 0.39 0.50 -0.03 1.41 -1.33 0.00 0.00 177.39 178.33 3key n HIS 435 N 0.83 -2.00 -3.73 -1.77 8.25 -0.12 -4.97 115.22 111.71 3key n HIS 435 Ca 0.10 0.84 -0.28 0.00 -0.26 0.00 0.00 57.72 58.12 3key n HIS 435 Cb 0.39 -4.44 -0.12 0.00 1.12 0.00 0.00 29.99 26.94 3key n HIS 435 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3key s LEU 436 N -6.52 3.52 0.53 2.41 1.43 -0.29 -4.98 118.68 114.80 3key s LEU 436 Ca 0.06 -3.42 0.19 0.00 -1.03 0.00 0.00 54.13 49.93 3key s LEU 436 Cb -0.01 -1.21 1.38 0.00 0.03 0.00 0.00 46.19 46.38 3key s LEU 436 CO 0.80 -0.14 2.17 -0.65 0.23 0.00 0.00 176.35 178.75 3key h PRO 437 N 5.70 0.00 -0.00 1.29 0.11 -1.94 -2.90 132.00 134.25 3key h PRO 437 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3key h PRO 437 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3key h PRO 437 CO 0.58 0.00 -0.09 0.66 -0.21 0.00 0.00 178.00 178.95 3key n TYR 438 N -4.40 0.00 -2.15 0.65 0.53 -1.26 -4.88 117.16 105.65 3key n TYR 438 Ca -0.03 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.44 3key n TYR 438 Cb 0.10 -0.15 -0.03 0.00 -1.03 0.00 0.00 39.34 38.24 3key n TYR 438 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 3key s ILE 439 N -2.38 2.90 0.41 -0.72 2.07 -1.10 -3.45 121.20 118.93 3key s ILE 439 Ca 0.32 0.83 0.08 0.00 -1.41 0.00 0.00 60.65 60.46 3key s ILE 439 Cb 0.20 -3.53 -0.04 0.00 0.13 0.00 0.00 42.46 39.23 3key s ILE 439 CO 0.45 0.17 0.25 0.42 -1.91 0.00 0.00 174.94 174.32 3key s THR 440 N -0.61 2.51 0.27 4.00 -4.23 -0.84 -4.95 115.64 111.78 3key s THR 440 Ca 0.52 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3key s THR 440 Cb -0.39 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.52 3key s THR 440 CO 0.46 -0.02 1.70 0.71 -0.54 0.00 0.00 174.62 176.94 3key h THR 441 N 1.29 1.27 -0.32 3.99 1.35 -1.91 -2.03 112.91 116.55 3key h THR 441 Ca -0.42 -1.27 -0.07 0.00 -0.55 0.00 0.00 66.41 64.10 3key h THR 441 Cb 1.26 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 3key h THR 441 CO 0.65 0.41 -0.11 0.78 -0.25 0.00 0.00 175.52 176.99 3key h ASN 442 N 0.49 0.52 -0.25 5.36 2.35 -1.96 0.05 115.58 122.15 3key h ASN 442 Ca 0.07 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 3key h ASN 442 Cb 0.67 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3key h ASN 442 CO 0.05 0.67 -0.04 1.23 -1.65 0.00 0.00 177.43 177.69 3key h GLY 443 N 0.93 0.50 1.29 2.83 0.00 -1.70 -2.27 103.07 104.66 3key h GLY 443 Ca 0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3key h GLY 443 CO 0.03 0.37 0.15 -2.22 0.00 0.00 0.00 176.54 174.87 3key h ILE 444 N 0.22 1.23 -0.35 2.60 2.04 -1.09 -2.15 117.51 120.00 3key h ILE 444 Ca 0.07 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3key h ILE 444 Cb 0.49 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3key h ILE 444 CO 0.02 0.31 0.23 0.58 0.00 0.00 0.00 178.15 179.29 3key h VAL 445 N 0.86 1.10 -0.18 1.67 2.07 -0.87 -1.34 116.25 119.55 3key h VAL 445 Ca 0.19 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3key h VAL 445 Cb 0.29 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3key h VAL 445 CO -0.00 0.09 -0.25 0.44 0.02 0.00 0.00 177.57 177.88 3key h ASP 446 N 0.47 0.33 -0.19 0.57 3.32 -1.04 -0.42 116.42 119.45 3key h ASP 446 Ca 0.13 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3key h ASP 446 Cb -0.04 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3key h ASP 446 CO -0.03 0.58 -0.03 0.58 -1.72 0.00 0.00 179.24 178.62 3key h VAL 447 N 0.30 1.28 -0.52 -1.35 2.07 -1.06 -2.57 116.25 114.39 3key h VAL 447 Ca 0.05 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3key h VAL 447 Cb 0.60 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3key h VAL 447 CO 0.04 0.30 0.03 -0.26 0.02 0.00 0.00 177.57 177.70 3key h PHE 448 N 0.09 0.91 -0.32 1.57 -1.00 -1.03 -1.82 116.94 115.35 3key h PHE 448 Ca 0.05 -0.12 0.02 0.00 2.81 0.00 0.00 57.97 60.73 3key h PHE 448 Cb 0.46 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 3key h PHE 448 CO 0.05 0.81 0.17 0.87 -1.61 0.00 0.00 178.31 178.60 3key h LYS 449 N 0.80 0.34 -0.47 1.51 1.57 -1.01 0.12 116.57 119.43 3key h LYS 449 Ca 0.16 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3key h LYS 449 Cb 0.43 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3key h LYS 449 CO 0.02 0.23 0.23 0.93 -0.57 0.00 0.00 179.45 180.28 3key h GLU 450 N 0.35 0.68 -0.42 3.15 4.39 -1.23 -0.00 114.58 121.51 3key h GLU 450 Ca 0.13 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3key h GLU 450 Cb 0.02 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3key h GLU 450 CO -0.07 0.57 0.11 0.00 -1.16 0.00 0.00 179.01 178.46 3key h LEU 452 N 0.54 0.84 -0.43 0.00 3.38 -0.60 0.17 115.31 119.21 3key h LEU 452 Ca 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3key h LEU 452 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3key h LEU 452 CO -0.00 0.78 0.25 0.50 0.09 0.00 0.00 178.44 180.06 3key h LYS 453 N 0.88 0.59 -0.49 1.13 3.64 -0.76 -1.01 116.57 120.56 3key h LYS 453 Ca 0.20 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3key h LYS 453 Cb 0.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3key h LYS 453 CO -0.01 0.46 -0.18 0.00 -2.27 0.00 0.00 179.45 177.44 3key h ARG 454 N 0.57 0.98 -0.50 1.90 3.08 -0.73 -2.82 114.38 116.85 3key h ARG 454 Ca 0.15 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 3key h ARG 454 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3key h ARG 454 CO -0.03 1.07 0.26 1.15 -1.07 0.00 0.00 179.97 181.35 3key h THR 455 N 0.85 1.18 -0.69 2.04 2.02 -0.35 -0.14 112.91 117.83 3key h THR 455 Ca 0.12 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3key h THR 455 Cb 0.75 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3key h THR 455 CO 0.06 0.20 0.33 0.50 0.37 0.00 0.00 175.52 176.98 3key h LYS 456 N 0.66 0.97 -0.32 6.66 3.64 -1.15 0.22 116.57 127.25 3key h LYS 456 Ca 0.17 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 3key h LYS 456 Cb 0.08 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3key h LYS 456 CO -0.03 0.75 -0.36 0.87 -2.27 0.00 0.00 179.45 178.42 3key h LYS 457 N 0.97 0.80 0.00 1.90 1.57 -1.19 -3.04 116.57 117.58 3key h LYS 457 Ca 0.24 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 3key h LYS 457 Cb 0.10 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3key h LYS 457 CO -0.03 1.07 -0.37 1.96 -0.57 0.00 0.00 179.45 181.51 3key h GLN 458 N 0.57 0.00 -2.10 3.15 4.20 -0.76 -3.38 115.11 116.79 3key h GLN 458 Ca 0.05 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.21 3key h GLN 458 Cb 0.94 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.32 3key h GLN 458 CO 0.09 0.29 -0.95 0.66 -0.67 0.00 0.00 178.83 178.25 3key n TYR 459 N -3.15 1.50 0.30 2.96 4.02 0.75 -4.91 117.16 118.63 3key n TYR 459 Ca 0.02 -3.85 0.18 0.00 -0.01 0.00 0.00 57.90 54.24 3key n TYR 459 Cb 0.66 -0.44 0.84 0.00 -0.02 0.00 0.00 39.34 40.38 3key n TYR 459 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3key h PRO 460 N 3.44 0.00 0.00 -0.72 0.13 -1.72 -0.97 132.00 132.16 3key h PRO 460 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3key h PRO 460 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3key h PRO 460 CO 0.62 0.00 -0.04 0.39 -0.23 0.00 0.00 178.00 178.74 3key n GLU 461 N -2.86 0.21 -0.04 0.86 4.71 -1.26 -4.35 120.64 117.91 3key n GLU 461 Ca -0.01 0.16 -0.08 0.00 -0.01 0.00 0.00 57.16 57.22 3key n GLU 461 Cb 0.18 -1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 28.84 3key n GLU 461 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3key n VAL 462 N -2.10 0.95 -3.36 2.62 0.31 -0.63 -2.57 118.33 113.56 3key n VAL 462 Ca 0.06 0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 64.02 3key n VAL 462 Cb 0.41 -1.77 -0.09 0.00 -0.91 0.00 0.00 33.84 31.49 3key n VAL 462 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3key s LEU 463 N -6.96 4.56 -0.18 7.52 0.20 -0.46 -1.08 118.68 122.28 3key s LEU 463 Ca -0.14 -0.35 -0.23 0.00 0.69 0.00 0.00 54.13 54.11 3key s LEU 463 Cb 0.04 -2.39 -0.21 0.00 -0.43 0.00 0.00 46.19 43.20 3key s LEU 463 CO 0.19 -0.43 0.37 0.50 -0.29 0.00 0.00 176.35 176.68 3key h LYS 464 N 8.55 0.02 -3.80 1.98 3.64 -1.21 -3.42 116.57 122.32 3key h LYS 464 Ca -0.28 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.97 3key h LYS 464 Cb 1.13 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.84 3key h LYS 464 CO 0.74 1.02 -0.29 -0.80 -2.27 0.00 0.00 179.45 177.84 3key s ASN 465 N -6.72 0.02 0.04 4.20 0.01 -1.02 -5.01 114.94 106.46 3key s ASN 465 Ca -0.26 -0.76 -0.16 0.00 -0.71 0.00 0.00 52.86 50.96 3key s ASN 465 Cb 0.04 0.43 0.03 0.00 0.41 0.00 0.00 41.25 42.15 3key s ASN 465 CO 0.63 -0.86 0.37 -1.66 -1.51 0.00 0.00 177.10 174.06 3key s TRP 466 N -3.93 -0.20 0.03 2.20 1.48 -1.26 -0.93 118.94 116.32 3key s TRP 466 Ca 0.13 0.14 -0.10 0.00 -1.06 0.00 0.00 56.10 55.21 3key s TRP 466 Cb 0.03 0.17 0.01 0.00 -1.16 0.00 0.00 33.47 32.52 3key s TRP 466 CO -0.03 -0.53 0.21 -1.58 -4.06 0.00 0.00 176.95 170.96 3key s TRP 467 N -2.41 0.00 -0.11 1.66 0.51 -0.50 -5.00 118.94 113.10 3key s TRP 467 Ca -0.06 -0.15 0.01 0.00 -2.12 0.00 0.00 56.10 53.78 3key s TRP 467 Cb -0.01 -0.00 0.02 0.00 -0.81 0.00 0.00 33.47 32.67 3key s TRP 467 CO -0.02 -0.41 -0.12 0.42 -0.51 0.00 0.00 176.95 176.31 3key s ILE 468 N -2.18 1.32 0.21 2.03 1.01 -1.26 -0.50 121.20 121.83 3key s ILE 468 Ca -0.08 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.13 3key s ILE 468 Cb -0.03 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3key s ILE 468 CO -0.02 0.41 0.09 -1.81 0.00 0.00 0.00 174.94 173.62 3key s ASP 469 N 1.27 5.15 -0.10 3.58 1.01 0.35 -4.94 116.67 123.00 3key s ASP 469 Ca -0.02 -0.33 -0.12 0.00 0.71 0.00 0.00 52.55 52.80 3key s ASP 469 Cb -0.14 -1.21 -0.05 0.00 1.01 0.00 0.00 42.92 42.53 3key s ASP 469 CO -0.05 0.03 0.29 -0.76 0.21 0.00 0.00 175.17 174.89 3key s LEU 470 N -3.38 4.35 -0.20 1.23 1.43 -1.26 -0.07 118.68 120.78 3key s LEU 470 Ca 0.31 0.64 0.18 0.00 -1.03 0.00 0.00 54.13 54.23 3key s LEU 470 Cb -0.09 -2.37 -0.25 0.00 0.03 0.00 0.00 46.19 43.52 3key s LEU 470 CO 0.22 0.25 0.07 0.47 0.23 0.00 0.00 176.35 177.58 3key n ASP 471 N 2.64 0.06 0.00 2.29 8.00 -0.79 -4.85 116.55 123.89 3key n ASP 471 Ca -0.14 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3key n ASP 471 Cb 0.53 0.98 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 3key n ASP 471 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3key n ASN 480 N -2.75 0.00 -0.00 -2.24 5.15 -1.26 -4.79 115.26 109.36 3key n ASN 480 Ca -0.33 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 53.75 3key n ASN 480 Cb 1.15 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 40.27 3key n ASN 480 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3key n SER 481 N 0.00 0.65 0.00 1.20 3.41 -1.26 -4.86 113.62 112.76 3key n SER 481 Ca 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 3key n SER 481 Cb 0.00 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 3key n SER 481 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3key n GLY 482 N 1.41 -1.73 3.39 5.00 0.00 -1.26 -0.89 105.19 111.10 3key n GLY 482 Ca 0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 3key n GLY 482 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3key s ILE 483 N -2.59 1.69 -0.18 -0.61 -4.36 -0.31 -1.88 121.20 112.95 3key s ILE 483 Ca 0.00 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.23 3key s ILE 483 Cb 0.00 -2.26 0.03 0.00 1.25 0.00 0.00 42.46 41.48 3key s ILE 483 CO 0.00 -0.43 -0.15 -0.22 0.24 0.00 0.00 174.94 174.38 3key s LEU 484 N -3.38 2.19 -0.12 0.37 2.96 0.89 -1.41 118.68 120.17 3key s LEU 484 Ca 0.26 -0.75 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 3key s LEU 484 Cb 0.02 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 3key s LEU 484 CO 0.10 -0.08 0.51 -0.76 -1.32 0.00 0.00 176.35 174.80 3key s LEU 485 N 1.35 4.27 -0.16 -0.68 1.43 0.17 -0.49 118.68 124.57 3key s LEU 485 Ca 0.02 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 3key s LEU 485 Cb -0.15 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 3key s LEU 485 CO -0.10 -0.04 -0.11 -1.00 0.23 0.00 0.00 176.35 175.34 3key s HIS 486 N 0.76 2.86 -0.05 0.29 3.76 0.35 -1.60 115.29 121.66 3key s HIS 486 Ca 0.27 -0.73 0.04 0.00 -0.15 0.00 0.00 55.06 54.50 3key s HIS 486 Cb -0.15 -1.92 -0.00 0.00 1.11 0.00 0.00 32.58 31.62 3key s HIS 486 CO 0.11 -0.30 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.02 3key s LEU 487 N 0.65 1.90 -0.10 0.89 1.43 0.41 -1.41 118.68 122.46 3key s LEU 487 Ca -0.06 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3key s LEU 487 Cb -0.15 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 3key s LEU 487 CO 0.02 0.14 -0.21 -0.70 0.23 0.00 0.00 176.35 175.84 3key s GLU 488 N 0.12 3.01 0.07 1.70 2.12 -0.11 -4.51 118.70 121.11 3key s GLU 488 Ca -0.06 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.40 3key s GLU 488 Cb -0.12 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.85 3key s GLU 488 CO 0.03 0.26 0.32 0.71 -0.54 0.00 0.00 175.26 176.03 3key s TYR 489 N 0.18 3.53 0.77 5.30 1.51 -1.26 -0.78 117.35 126.60 3key s TYR 489 Ca -0.12 0.55 -0.11 0.00 -1.01 0.00 0.00 57.07 56.38 3key s TYR 489 Cb -0.16 -1.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.76 3key s TYR 489 CO 0.07 0.53 1.09 0.00 -1.11 0.00 0.00 175.55 176.12 3key s ALA 490 N -1.48 2.35 0.13 3.71 0.00 -0.24 -4.62 121.76 121.61 3key s ALA 490 Ca 0.34 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 3key s ALA 490 Cb -0.13 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3key s ALA 490 CO 0.21 -1.61 1.68 0.00 0.00 0.00 0.00 175.76 176.04 3key h ALA 491 N -1.00 -0.01 -0.48 0.00 0.00 -1.82 -1.73 119.26 114.22 3key h ALA 491 Ca -0.46 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.61 3key h ALA 491 Cb 1.25 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 3key h ALA 491 CO 0.58 -0.57 -0.18 0.00 0.00 0.00 0.00 179.25 179.08 3key h ALA 492 N 0.97 0.21 0.00 0.00 0.00 -1.95 0.28 119.26 118.76 3key h ALA 492 Ca 0.10 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3key h ALA 492 Cb 0.28 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3key h ALA 492 CO -0.23 -0.51 -0.11 -0.92 0.00 0.00 0.00 179.25 177.48 3key h TYR 493 N -0.07 0.00 0.00 0.00 3.20 -1.41 -3.51 116.97 115.18 3key h TYR 493 Ca 0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3key h TYR 493 Cb 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3key h TYR 493 CO -0.46 0.11 0.00 0.45 -1.64 0.00 0.00 178.16 176.62