#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykn s ALA 302 N 0.00 3.35 0.03 0.55 0.00 -1.26 -5.06 121.76 119.37 1ykn s ALA 302 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.68 1ykn s ALA 302 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1ykn s ALA 302 CO 0.00 0.10 -0.05 -0.65 0.00 0.00 0.00 175.76 175.17 1ykn s GLN 303 N -1.11 2.53 -1.11 0.00 -0.21 -1.26 -5.09 119.66 113.42 1ykn s GLN 303 Ca 0.42 -0.77 -0.16 0.00 0.02 0.00 0.00 55.36 54.88 1ykn s GLN 303 Cb -0.27 -2.51 0.14 0.00 1.00 0.00 0.00 33.01 31.37 1ykn s GLN 303 CO 0.34 0.58 1.35 0.34 -2.12 0.00 0.00 175.29 175.78 1ykn s ASP 304 N -1.72 6.87 -0.00 5.90 2.15 -1.26 -4.69 116.67 123.92 1ykn s ASP 304 Ca 0.20 -2.54 0.03 0.00 0.43 0.00 0.00 52.55 50.67 1ykn s ASP 304 Cb -0.11 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 1ykn s ASP 304 CO 0.11 -0.93 0.10 -0.46 -0.17 0.00 0.00 175.17 173.82 1ykn n ASN 305 N 6.36 2.50 -4.75 -0.34 0.23 -1.26 -5.03 115.26 112.98 1ykn n ASN 305 Ca 0.33 -0.24 -0.23 0.00 -0.53 0.00 0.00 54.58 53.91 1ykn n ASN 305 Cb 0.46 1.09 -0.06 0.00 -2.08 0.00 0.00 39.78 39.19 1ykn n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1ykn s SER 306 N -1.92 4.88 0.01 0.53 0.01 -1.26 -2.94 113.70 113.00 1ykn s SER 306 Ca -0.00 -0.63 0.05 0.00 1.31 0.00 0.00 55.95 56.68 1ykn s SER 306 Cb 0.02 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.35 1ykn s SER 306 CO 0.14 -0.22 -0.14 -0.13 0.41 0.00 0.00 173.24 173.30 1ykn s ARG 307 N -3.84 1.05 -0.09 12.44 1.81 -0.62 -4.87 118.95 124.83 1ykn s ARG 307 Ca 0.36 -0.62 -0.00 0.00 -1.72 0.00 0.00 55.73 53.75 1ykn s ARG 307 Cb -0.05 -1.04 -0.03 0.00 -0.45 0.00 0.00 34.95 33.39 1ykn s ARG 307 CO 0.23 0.27 -0.06 -0.06 -0.68 0.00 0.00 175.30 175.00 1ykn s PHE 308 N -0.56 2.96 0.15 -0.53 0.40 -1.26 -1.17 117.98 117.97 1ykn s PHE 308 Ca 0.04 -0.08 -0.32 0.00 -0.60 0.00 0.00 56.93 55.96 1ykn s PHE 308 Cb -0.06 -1.78 -0.12 0.00 0.51 0.00 0.00 43.02 41.57 1ykn s PHE 308 CO 0.00 0.22 1.75 0.28 0.70 0.00 0.00 175.22 178.18 1ykn n VAL 309 N 2.58 0.18 -1.62 -0.44 0.31 -0.14 -4.88 118.33 114.33 1ykn n VAL 309 Ca -0.18 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 1ykn n VAL 309 Cb 0.53 -1.94 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 1ykn n VAL 309 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ykn n ILE 310 N 4.23 2.37 -2.49 2.52 2.08 -1.26 -4.69 119.36 122.12 1ykn n ILE 310 Ca 0.17 -0.50 -0.36 0.00 0.56 0.00 0.00 62.75 62.62 1ykn n ILE 310 Cb 0.34 -1.21 -0.03 0.00 -0.75 0.00 0.00 39.64 37.99 1ykn n ILE 310 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1ykn s ARG 311 N -1.98 4.07 -0.65 0.38 0.52 -1.26 -4.97 118.95 115.07 1ykn s ARG 311 Ca 0.62 1.56 -0.18 0.00 -0.52 0.00 0.00 55.73 57.20 1ykn s ARG 311 Cb -0.57 -2.50 0.12 0.00 0.52 0.00 0.00 34.95 32.52 1ykn s ARG 311 CO 0.58 -0.23 0.75 0.34 0.02 0.00 0.00 175.30 176.75 1ykn s ASP 312 N -1.54 6.28 0.00 0.23 -1.08 -1.26 -4.90 116.67 114.40 1ykn s ASP 312 Ca 0.59 -1.63 0.19 0.00 -0.52 0.00 0.00 52.55 51.18 1ykn s ASP 312 Cb -0.23 -2.30 1.04 0.00 -1.46 0.00 0.00 42.92 39.97 1ykn s ASP 312 CO 0.29 -1.05 1.58 0.54 0.52 0.00 0.00 175.17 177.04 1ykn n ARG 313 N 6.09 0.39 0.02 4.34 1.74 -1.26 -1.69 116.66 126.30 1ykn n ARG 313 Ca -0.04 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.22 1ykn n ARG 313 Cb 0.43 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.47 1ykn n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ykn n ASN 314 N -1.18 0.63 -0.10 0.55 3.02 -1.26 -4.43 115.26 112.49 1ykn n ASN 314 Ca 0.11 -0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.25 1ykn n ASN 314 Cb 0.12 0.55 -0.12 0.00 -0.61 0.00 0.00 39.78 39.72 1ykn n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1ykn h TRP 315 N 0.00 0.00 -3.94 3.10 2.91 -1.74 -3.43 115.95 112.85 1ykn h TRP 315 Ca 0.00 0.00 -0.49 0.00 1.13 0.00 0.00 58.89 59.53 1ykn h TRP 315 Cb 0.66 0.00 0.19 0.00 -0.51 0.00 0.00 29.16 29.49 1ykn h TRP 315 CO 0.00 1.35 0.17 -1.01 -1.03 0.00 0.00 178.44 177.92 1ykn s HIS 316 N -2.32 1.77 0.55 2.65 3.76 -1.11 -4.72 115.29 115.86 1ykn s HIS 316 Ca -0.26 1.48 -0.18 0.00 -0.15 0.00 0.00 55.06 55.96 1ykn s HIS 316 Cb 0.04 -3.21 -0.06 0.00 1.11 0.00 0.00 32.58 30.46 1ykn s HIS 316 CO 0.61 -2.96 1.05 -1.25 -0.85 0.00 0.00 174.74 171.34 1ykn s PRO 317 N -4.68 3.50 1.01 8.40 0.04 -1.26 -4.78 135.00 137.23 1ykn s PRO 317 Ca 0.66 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 1ykn s PRO 317 Cb -0.22 -2.05 0.19 0.00 0.04 0.00 0.00 34.50 32.46 1ykn s PRO 317 CO 0.60 -0.67 1.14 0.15 0.04 0.00 0.00 177.00 178.25 1ykn s LYS 318 N -3.73 0.32 0.04 4.56 -0.14 -1.26 -4.98 119.74 114.55 1ykn s LYS 318 Ca 0.65 0.17 -0.17 0.00 -1.36 0.00 0.00 55.97 55.25 1ykn s LYS 318 Cb -0.16 -1.76 -0.20 0.00 -1.68 0.00 0.00 37.83 34.03 1ykn s LYS 318 CO 0.30 -2.73 1.20 0.00 -0.76 0.00 0.00 175.35 173.36 1ykn h ALA 319 N -1.88 0.17 -2.15 5.17 0.00 -1.96 -3.42 119.26 115.19 1ykn h ALA 319 Ca -0.50 -0.55 -0.70 0.00 0.00 0.00 0.00 54.91 53.16 1ykn h ALA 319 Cb 1.31 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.92 1ykn h ALA 319 CO 0.52 0.43 -0.06 -1.17 0.00 0.00 0.00 179.25 178.97 1ykn s LEU 320 N -8.45 5.16 -0.45 0.00 2.96 -1.26 -4.78 118.68 111.85 1ykn s LEU 320 Ca -0.12 -1.04 0.02 0.00 -0.22 0.00 0.00 54.13 52.77 1ykn s LEU 320 Cb 0.05 -2.37 0.14 0.00 0.50 0.00 0.00 46.19 44.52 1ykn s LEU 320 CO 0.84 -0.82 0.28 0.42 -1.32 0.00 0.00 176.35 175.74 1ykn s THR 321 N 2.35 1.27 0.53 3.68 -4.23 -1.26 -5.03 115.64 112.94 1ykn s THR 321 Ca 0.12 -2.65 0.32 0.00 -1.18 0.00 0.00 61.69 58.30 1ykn s THR 321 Cb -0.21 -1.88 0.50 0.00 1.34 0.00 0.00 72.50 72.25 1ykn s THR 321 CO 0.10 -0.96 1.85 1.55 -0.54 0.00 0.00 174.62 176.62 1ykn h PRO 322 N 6.47 0.04 0.00 3.99 0.13 -1.94 0.11 132.00 140.80 1ykn h PRO 322 Ca 0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1ykn h PRO 322 Cb 0.91 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1ykn h PRO 322 CO 0.47 0.03 0.00 -0.44 -0.23 0.00 0.00 178.00 177.83 1ykn h ASP 323 N 0.04 0.00 -3.23 1.44 3.32 -1.96 -3.22 116.42 112.82 1ykn h ASP 323 Ca 0.49 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.79 1ykn h ASP 323 Cb 1.89 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 41.20 1ykn h ASP 323 CO -0.03 0.00 -0.05 -0.47 -1.72 0.00 0.00 179.24 176.97 1ykn s TYR 324 N -3.84 3.34 0.20 4.55 5.04 0.38 -4.86 117.35 122.16 1ykn s TYR 324 Ca -0.01 -1.43 -0.11 0.00 -2.44 0.00 0.00 57.07 53.08 1ykn s TYR 324 Cb 0.10 -3.86 0.19 0.00 0.35 0.00 0.00 41.96 38.75 1ykn s TYR 324 CO 0.47 -1.07 1.80 0.87 -1.34 0.00 0.00 175.55 176.28 1ykn h LYS 325 N 8.64 0.59 -0.33 4.97 1.57 -1.79 0.15 116.57 130.37 1ykn h LYS 325 Ca -0.17 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1ykn h LYS 325 Cb 1.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1ykn h LYS 325 CO 0.98 0.39 0.27 1.15 -0.57 0.00 0.00 179.45 181.67 1ykn h THR 326 N 0.60 0.65 0.00 -0.16 2.02 -1.92 -0.83 112.91 113.27 1ykn h THR 326 Ca 0.26 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1ykn h THR 326 Cb 0.15 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1ykn h THR 326 CO -0.17 0.00 -0.09 0.77 0.37 0.00 0.00 175.52 176.41 1ykn h SER 327 N 0.00 0.00 -0.10 4.18 4.64 -1.00 -3.23 113.55 118.04 1ykn h SER 327 Ca 0.15 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1ykn h SER 327 Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 1ykn h SER 327 CO -0.00 0.09 -0.06 0.40 -0.87 0.00 0.00 176.83 176.39 1ykn h ILE 328 N 0.00 0.81 -0.01 0.95 2.04 -1.28 -2.59 117.51 117.44 1ykn h ILE 328 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ykn h ILE 328 Cb 0.42 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1ykn h ILE 328 CO 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.94 1ykn n ALA 329 N -2.33 2.99 -2.20 1.87 0.00 -1.25 -4.09 120.51 115.51 1ykn n ALA 329 Ca -0.04 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 1ykn n ALA 329 Cb 0.12 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.39 1ykn n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ykn n ARG 330 N -0.76 3.41 -4.24 0.00 1.74 -0.99 -4.99 116.66 110.83 1ykn n ARG 330 Ca 0.13 -4.20 -0.20 0.00 -0.77 0.00 0.00 57.85 52.81 1ykn n ARG 330 Cb 0.33 -2.21 -0.16 0.00 -1.02 0.00 0.00 32.46 29.40 1ykn n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ykn s SER 331 N -3.59 0.98 0.37 0.55 1.04 -1.13 -4.97 113.70 106.96 1ykn s SER 331 Ca 0.48 -0.14 -0.27 0.00 0.48 0.00 0.00 55.95 56.50 1ykn s SER 331 Cb 0.40 -0.38 -0.09 0.00 0.10 0.00 0.00 66.02 66.05 1ykn s SER 331 CO -0.02 -0.00 1.30 -2.16 0.98 0.00 0.00 173.24 173.33 1ykn s PRO 332 N 0.57 4.13 0.03 4.02 0.04 -1.26 -4.97 135.00 137.57 1ykn s PRO 332 Ca -0.08 2.17 0.19 0.00 0.04 0.00 0.00 61.00 63.32 1ykn s PRO 332 Cb -0.11 -2.88 -0.17 0.00 0.04 0.00 0.00 34.50 31.37 1ykn s PRO 332 CO 0.00 -0.36 0.68 0.54 0.04 0.00 0.00 177.00 177.91 1ykn n ARG 333 N 0.40 0.64 -2.82 4.56 5.12 -1.26 -4.92 116.66 118.38 1ykn n ARG 333 Ca 0.02 0.07 -0.31 0.00 -1.93 0.00 0.00 57.85 55.71 1ykn n ARG 333 Cb 0.43 -1.71 -0.04 0.00 -1.16 0.00 0.00 32.46 29.99 1ykn n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ykn s GLN 334 N -3.09 3.83 0.51 5.56 -1.52 -1.26 -5.02 119.66 118.66 1ykn s GLN 334 Ca -0.05 0.56 -0.22 0.00 -1.95 0.00 0.00 55.36 53.70 1ykn s GLN 334 Cb 0.10 -2.36 -0.06 0.00 -0.22 0.00 0.00 33.01 30.47 1ykn s GLN 334 CO 0.83 -0.05 1.24 0.00 -0.25 0.00 0.00 175.29 177.06 1ykn s ALA 335 N -2.36 2.85 0.49 6.09 0.00 -1.26 -4.97 121.76 122.59 1ykn s ALA 335 Ca 0.53 1.08 -0.23 0.00 0.00 0.00 0.00 51.96 53.33 1ykn s ALA 335 Cb -0.10 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 1ykn s ALA 335 CO 0.30 -0.98 1.29 -0.51 0.00 0.00 0.00 175.76 175.86 1ykn s LEU 336 N -3.37 3.97 -0.41 0.00 1.43 -1.26 -4.98 118.68 114.07 1ykn s LEU 336 Ca 0.69 2.60 -0.21 0.00 -1.03 0.00 0.00 54.13 56.18 1ykn s LEU 336 Cb -0.33 -4.19 0.02 0.00 0.03 0.00 0.00 46.19 41.72 1ykn s LEU 336 CO 0.39 -1.22 0.64 -0.69 0.23 0.00 0.00 176.35 175.70 1ykn s VAL 337 N -1.38 4.85 0.31 -1.59 1.01 -1.26 -5.06 120.40 117.28 1ykn s VAL 337 Ca 0.66 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 1ykn s VAL 337 Cb -0.36 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 1ykn s VAL 337 CO 0.44 -0.49 1.24 -0.44 0.00 0.00 0.00 175.10 175.85 1ykn s SER 338 N 1.92 6.95 0.07 3.32 0.01 -1.26 -5.06 113.70 119.65 1ykn s SER 338 Ca 0.23 2.53 0.02 0.00 1.31 0.00 0.00 55.95 60.05 1ykn s SER 338 Cb -0.14 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 1ykn s SER 338 CO 0.17 -0.40 -0.08 0.27 0.41 0.00 0.00 173.24 173.62 1ykn s ILE 339 N -1.09 0.64 0.80 1.44 -4.36 -1.26 -5.14 121.20 112.23 1ykn s ILE 339 Ca 0.48 -1.47 -0.11 0.00 -0.26 0.00 0.00 60.65 59.29 1ykn s ILE 339 Cb -0.37 -1.10 0.07 0.00 1.25 0.00 0.00 42.46 42.31 1ykn s ILE 339 CO 0.48 -0.59 1.09 -2.16 0.24 0.00 0.00 174.94 174.00 1ykn s PRO 340 N -2.58 2.05 -0.04 0.37 0.04 -1.26 -4.97 135.00 128.61 1ykn s PRO 340 Ca 0.00 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.85 1ykn s PRO 340 Cb -0.03 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1ykn s PRO 340 CO -0.02 -1.76 0.80 -0.65 0.04 0.00 0.00 177.00 175.42 1ykn s GLN 341 N -4.92 4.48 0.30 4.56 -0.21 -1.26 -5.00 119.66 117.61 1ykn s GLN 341 Ca 0.61 1.08 0.01 0.00 0.02 0.00 0.00 55.36 57.08 1ykn s GLN 341 Cb -0.17 -3.45 -0.00 0.00 1.00 0.00 0.00 33.01 30.39 1ykn s GLN 341 CO 0.56 0.02 0.02 -1.13 -2.12 0.00 0.00 175.29 172.65 1ykn n SER 342 N 3.81 2.49 0.22 5.90 3.41 -1.26 -4.99 113.62 123.20 1ykn n SER 342 Ca 0.01 -2.39 0.17 0.00 -0.26 0.00 0.00 58.87 56.40 1ykn n SER 342 Cb 0.51 0.32 0.84 0.00 -0.26 0.00 0.00 64.21 65.62 1ykn n SER 342 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1ykn h ILE 343 N 1.22 0.49 -0.16 -1.33 2.10 -1.95 -1.38 117.51 116.51 1ykn h ILE 343 Ca -0.25 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.60 1ykn h ILE 343 Cb 0.79 0.87 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 1ykn h ILE 343 CO 0.41 0.00 -0.29 0.28 -1.08 0.00 0.00 178.15 177.47 1ykn h SER 344 N 0.00 0.30 0.23 2.19 0.02 -1.94 -3.18 113.55 111.16 1ykn h SER 344 Ca 0.07 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1ykn h SER 344 Cb 0.41 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1ykn h SER 344 CO -0.00 0.59 -1.82 -0.62 -1.14 0.00 0.00 176.83 173.84 1ykn n GLU 345 N -4.12 0.65 -0.02 3.45 4.71 -0.74 -4.36 120.64 120.21 1ykn n GLU 345 Ca -0.01 -0.10 0.13 0.00 -0.01 0.00 0.00 57.16 57.17 1ykn n GLU 345 Cb 0.40 -1.59 0.25 0.00 -1.01 0.00 0.00 31.44 29.49 1ykn n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1ykn n THR 346 N -2.42 0.06 -4.36 2.62 -2.24 -0.60 -2.95 114.28 104.39 1ykn n THR 346 Ca -0.06 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.01 1ykn n THR 346 Cb 0.64 1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 69.88 1ykn n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ykn s THR 347 N -1.94 2.09 0.12 4.28 -4.23 -1.20 -4.74 115.64 110.02 1ykn s THR 347 Ca 0.32 -1.83 -0.24 0.00 -1.18 0.00 0.00 61.69 58.76 1ykn s THR 347 Cb 0.20 -2.93 0.08 0.00 1.34 0.00 0.00 72.50 71.20 1ykn s THR 347 CO 0.31 0.00 1.12 -0.83 -0.54 0.00 0.00 174.62 174.68 1ykn s GLY 348 N -3.83 0.03 0.49 3.99 0.00 -1.22 -0.92 107.32 105.85 1ykn s GLY 348 Ca 0.36 -0.20 -0.21 0.00 0.00 0.00 0.00 44.72 44.67 1ykn s GLY 348 CO 0.19 3.32 1.08 2.56 0.00 0.00 0.00 173.10 180.25 1ykn s PRO 349 N -2.14 3.71 -0.17 2.90 0.04 -1.26 -4.85 135.00 133.23 1ykn s PRO 349 Ca 0.24 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1ykn s PRO 349 Cb -0.02 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1ykn s PRO 349 CO 0.03 -0.53 -0.18 1.21 0.04 0.00 0.00 177.00 177.58 1ykn s ASN 350 N -1.82 3.33 -0.31 6.66 3.84 -1.26 -4.85 114.94 120.54 1ykn s ASN 350 Ca 0.67 -0.58 0.11 0.00 0.21 0.00 0.00 52.86 53.27 1ykn s ASN 350 Cb -0.20 -1.51 0.73 0.00 -0.55 0.00 0.00 41.25 39.71 1ykn s ASN 350 CO 0.24 0.03 1.76 0.49 -2.79 0.00 0.00 177.10 176.83 1ykn n PHE 351 N 4.43 2.26 -0.34 0.43 3.01 -1.26 -4.69 117.46 121.30 1ykn n PHE 351 Ca -0.20 -1.18 0.05 0.00 1.01 0.00 0.00 57.45 57.13 1ykn n PHE 351 Cb 0.51 -0.64 0.20 0.00 -0.01 0.00 0.00 39.48 39.53 1ykn n PHE 351 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1ykn h SER 352 N 2.60 0.84 -0.50 4.37 0.02 -1.96 -1.66 113.55 117.26 1ykn h SER 352 Ca 0.23 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1ykn h SER 352 Cb 2.22 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.64 1ykn h SER 352 CO 0.67 0.47 0.00 1.41 -1.14 0.00 0.00 176.83 178.25 1ykn n HIS 353 N -4.65 1.06 -2.13 3.45 8.25 -1.26 -4.92 115.22 115.02 1ykn n HIS 353 Ca 0.16 -0.43 -0.41 0.00 -0.26 0.00 0.00 57.72 56.78 1ykn n HIS 353 Cb 0.30 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 1ykn n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ykn s LEU 354 N -1.42 4.43 -0.65 2.41 2.96 -0.63 -4.93 118.68 120.85 1ykn s LEU 354 Ca 0.38 2.65 -0.25 0.00 -0.22 0.00 0.00 54.13 56.69 1ykn s LEU 354 Cb 0.24 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 43.33 1ykn s LEU 354 CO 0.20 -0.53 1.11 -0.83 -1.32 0.00 0.00 176.35 174.97 1ykn s GLY 355 N -0.38 1.17 0.11 7.98 0.00 -1.26 -5.00 107.32 109.94 1ykn s GLY 355 Ca 0.50 -1.38 -0.26 0.00 0.00 0.00 0.00 44.72 43.58 1ykn s GLY 355 CO 0.51 2.34 0.80 -1.36 0.00 0.00 0.00 173.10 175.38 1ykn s PHE 356 N 4.76 3.83 0.63 1.90 0.08 -1.26 -5.04 117.98 122.88 1ykn s PHE 356 Ca 0.32 1.59 -0.16 0.00 0.12 0.00 0.00 56.93 58.80 1ykn s PHE 356 Cb -0.11 -2.83 -0.01 0.00 -0.57 0.00 0.00 43.02 39.50 1ykn s PHE 356 CO 0.16 0.38 1.11 0.20 -0.10 0.00 0.00 175.22 176.97 1ykn s GLY 357 N -0.55 2.24 0.57 4.36 0.00 -1.26 -4.93 107.32 107.75 1ykn s GLY 357 Ca 0.38 0.59 0.29 0.00 0.00 0.00 0.00 44.72 45.97 1ykn s GLY 357 CO 0.25 0.94 2.21 0.00 0.00 0.00 0.00 173.10 176.50 1ykn h ALA 358 N 0.29 1.49 -0.33 3.20 0.00 -2.03 -2.91 119.26 118.97 1ykn h ALA 358 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ykn h ALA 358 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ykn h ALA 358 CO 0.55 0.04 0.00 0.72 0.00 0.00 0.00 179.25 180.56 1ykn n HIS 359 N -3.83 0.84 0.30 0.00 8.25 -1.26 -4.70 115.22 114.82 1ykn n HIS 359 Ca -0.03 -0.71 0.19 0.00 -0.26 0.00 0.00 57.72 56.91 1ykn n HIS 359 Cb 0.12 -0.21 0.99 0.00 1.12 0.00 0.00 29.99 32.01 1ykn n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1ykn h ASP 360 N 2.12 0.00 -0.66 0.41 3.32 -1.81 -0.37 116.42 119.43 1ykn h ASP 360 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ykn h ASP 360 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1ykn h ASP 360 CO 0.15 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.67 1ykn n HIS 361 N -3.26 0.88 -3.79 4.55 1.44 -1.23 -1.90 115.22 111.90 1ykn n HIS 361 Ca -0.01 -0.44 -0.30 0.00 -2.01 0.00 0.00 57.72 54.96 1ykn n HIS 361 Cb 0.23 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.18 1ykn n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1ykn s ASP 362 N -1.11 4.00 0.36 4.39 3.68 -0.15 -1.77 116.67 126.08 1ykn s ASP 362 Ca 0.47 -1.58 0.20 0.00 2.13 0.00 0.00 52.55 53.76 1ykn s ASP 362 Cb 0.25 -0.97 0.42 0.00 -1.45 0.00 0.00 42.92 41.17 1ykn s ASP 362 CO 0.33 -0.38 1.61 -0.07 0.13 0.00 0.00 175.17 176.79 1ykn h LEU 363 N 8.03 0.00 -1.41 -1.34 4.07 -0.16 -0.47 115.31 124.03 1ykn h LEU 363 Ca -0.13 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 1ykn h LEU 363 Cb 1.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 1ykn h LEU 363 CO 0.46 0.32 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.94 1ykn h LEU 364 N 0.00 0.00 0.00 1.67 4.07 -1.89 -3.38 115.31 115.78 1ykn h LEU 364 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ykn h LEU 364 Cb 1.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 1ykn h LEU 364 CO 0.04 0.13 -1.09 0.18 -1.08 0.00 0.00 178.44 176.62 1ykn n LEU 365 N -3.33 0.00 0.00 1.67 4.77 -0.28 -4.67 117.00 115.17 1ykn n LEU 365 Ca -0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1ykn n LEU 365 Cb 0.35 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.10 1ykn n LEU 365 CO 0.30 0.00 0.92 -0.46 -1.33 0.00 0.00 177.39 176.83 1ykn n ASN 366 N -1.58 0.00 -0.03 -1.43 0.23 -0.66 -3.98 115.26 107.81 1ykn n ASN 366 Ca -0.00 -0.22 -0.03 0.00 -0.53 0.00 0.00 54.58 53.79 1ykn n ASN 366 Cb 0.06 -0.23 -0.01 0.00 -2.08 0.00 0.00 39.78 37.52 1ykn n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1ykn n PHE 367 N -1.23 0.00 -1.56 -2.53 7.35 -1.26 -4.96 117.46 113.27 1ykn n PHE 367 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1ykn n PHE 367 Cb 0.18 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 39.82 1ykn n PHE 367 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ykn n ASN 368 N -3.30 -0.57 -0.16 -2.13 4.05 -1.26 -5.01 115.26 106.89 1ykn n ASN 368 Ca -0.05 0.74 0.08 0.00 0.45 0.00 0.00 54.58 55.79 1ykn n ASN 368 Cb 0.19 -1.12 0.11 0.00 1.23 0.00 0.00 39.78 40.20 1ykn n ASN 368 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1ykn n ASN 369 N 1.90 1.84 0.00 1.20 3.02 -1.26 -4.92 115.26 117.03 1ykn n ASN 369 Ca 0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 1ykn n ASN 369 Cb 0.00 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1ykn n ASN 369 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykn n GLY 370 N -1.12 0.63 0.00 7.41 0.00 -1.26 -5.05 105.19 105.80 1ykn n GLY 370 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ykn n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ykn n GLY 371 N 0.00 1.79 3.87 -0.02 0.00 -1.26 -5.18 105.19 104.38 1ykn n GLY 371 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1ykn n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ykn s LEU 372 N 0.00 4.23 0.54 0.99 1.02 -1.26 -4.75 118.68 119.44 1ykn s LEU 372 Ca 0.00 0.93 -0.19 0.00 0.02 0.00 0.00 54.13 54.89 1ykn s LEU 372 Cb 0.00 -3.51 -0.06 0.00 0.02 0.00 0.00 46.19 42.63 1ykn s LEU 372 CO 0.00 -0.01 1.08 -2.84 0.02 0.00 0.00 176.35 174.60 1ykn s PRO 373 N -2.54 3.49 0.15 1.29 0.02 -1.26 -4.80 135.00 131.36 1ykn s PRO 373 Ca 0.44 1.42 -0.19 0.00 0.02 0.00 0.00 61.00 62.69 1ykn s PRO 373 Cb -0.12 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.28 1ykn s PRO 373 CO 0.21 -0.70 0.64 0.42 -0.33 0.00 0.00 177.00 177.24 1ykn s ILE 374 N -2.02 4.66 0.00 2.83 1.01 -1.26 -5.00 121.20 121.43 1ykn s ILE 374 Ca 0.68 1.20 0.00 0.00 0.00 0.00 0.00 60.65 62.54 1ykn s ILE 374 Cb -0.19 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1ykn s ILE 374 CO 0.27 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1ykn n GLY 375 N 1.13 2.43 3.63 6.18 0.00 -1.26 -4.35 105.19 112.96 1ykn n GLY 375 Ca -0.06 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1ykn n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykn s GLU 376 N -1.71 3.89 0.11 1.61 2.02 -1.26 -4.88 118.70 118.48 1ykn s GLU 376 Ca 0.00 1.44 -0.31 0.00 0.02 0.00 0.00 54.97 56.12 1ykn s GLU 376 Cb 0.00 -3.93 -0.08 0.00 0.10 0.00 0.00 34.13 30.22 1ykn s GLU 376 CO 0.00 -1.15 1.39 1.03 0.02 0.00 0.00 175.26 176.54 1ykn s ARG 377 N 4.31 4.32 0.00 1.61 0.52 -1.26 -0.97 118.95 127.48 1ykn s ARG 377 Ca 0.62 2.07 -0.12 0.00 -0.52 0.00 0.00 55.73 57.77 1ykn s ARG 377 Cb -0.20 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.01 1ykn s ARG 377 CO 0.25 -0.44 0.26 0.96 0.02 0.00 0.00 175.30 176.34 1ykn s ILE 378 N 1.19 0.07 -0.17 1.52 -4.36 -0.51 -2.60 121.20 116.34 1ykn s ILE 378 Ca 0.64 -0.59 -0.12 0.00 -0.26 0.00 0.00 60.65 60.32 1ykn s ILE 378 Cb -0.36 -0.65 -0.05 0.00 1.25 0.00 0.00 42.46 42.65 1ykn s ILE 378 CO 0.30 -0.33 0.22 -0.63 0.24 0.00 0.00 174.94 174.75 1ykn s ILE 379 N -1.62 5.35 -0.24 8.37 1.01 0.93 -0.11 121.20 134.89 1ykn s ILE 379 Ca -0.12 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 1ykn s ILE 379 Cb -0.05 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1ykn s ILE 379 CO 0.02 0.42 -0.06 -0.69 0.00 0.00 0.00 174.94 174.63 1ykn s VAL 380 N 0.34 2.96 0.23 2.92 1.01 -0.69 0.07 120.40 127.24 1ykn s VAL 380 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1ykn s VAL 380 Cb -0.12 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1ykn s VAL 380 CO 0.02 0.27 0.09 0.00 0.00 0.00 0.00 175.10 175.47 1ykn s ALA 381 N 1.36 1.51 0.00 5.51 0.00 -0.27 -1.54 121.76 128.34 1ykn s ALA 381 Ca 0.02 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1ykn s ALA 381 Cb -0.16 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1ykn s ALA 381 CO -0.05 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1ykn n GLY 382 N -0.37 -1.36 3.17 0.00 0.00 -1.06 0.24 105.19 105.81 1ykn n GLY 382 Ca -0.01 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 1ykn n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ykn s ARG 383 N -1.11 0.86 -0.27 1.61 3.52 -1.25 -1.76 118.95 120.55 1ykn s ARG 383 Ca 0.00 -0.90 -0.07 0.00 -0.13 0.00 0.00 55.73 54.63 1ykn s ARG 383 Cb 0.00 -0.88 -0.01 0.00 -1.56 0.00 0.00 34.95 32.50 1ykn s ARG 383 CO 0.00 0.20 0.07 0.08 -0.81 0.00 0.00 175.30 174.85 1ykn s VAL 384 N -1.14 4.13 0.41 7.11 1.01 0.21 -1.63 120.40 130.50 1ykn s VAL 384 Ca -0.01 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1ykn s VAL 384 Cb -0.09 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 1ykn s VAL 384 CO 0.02 0.22 0.02 0.68 0.00 0.00 0.00 175.10 176.03 1ykn s VAL 385 N 1.56 1.76 0.51 2.92 -7.23 -0.86 -0.62 120.40 118.45 1ykn s VAL 385 Ca 0.05 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 1ykn s VAL 385 Cb -0.16 -2.85 0.04 0.00 0.56 0.00 0.00 36.38 33.97 1ykn s VAL 385 CO 0.03 0.00 0.61 1.51 -0.31 0.00 0.00 175.10 176.94 1ykn s ASP 386 N -3.70 5.12 0.00 4.85 3.84 -0.07 -1.71 116.67 125.00 1ykn s ASP 386 Ca 0.31 -0.82 0.08 0.00 -0.00 0.00 0.00 52.55 52.11 1ykn s ASP 386 Cb 0.09 -0.01 0.33 0.00 -1.38 0.00 0.00 42.92 41.94 1ykn s ASP 386 CO 0.16 -1.07 1.23 0.00 -0.00 0.00 0.00 175.17 175.49 1ykn n GLN 387 N -1.96 0.01 0.00 2.11 6.02 -0.60 -0.65 117.38 122.30 1ykn n GLN 387 Ca 0.09 0.36 0.13 0.00 -0.01 0.00 0.00 57.00 57.56 1ykn n GLN 387 Cb 0.62 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.66 1ykn n GLN 387 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ykn n TYR 388 N -1.48 0.00 -0.47 1.08 4.02 -1.26 -4.91 117.16 114.14 1ykn n TYR 388 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1ykn n TYR 388 Cb 0.09 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 1ykn n TYR 388 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ykn n GLY 389 N 1.30 0.73 3.66 2.72 0.00 0.17 -5.06 105.19 108.72 1ykn n GLY 389 Ca 0.14 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1ykn n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykn s LYS 390 N -0.80 4.13 0.60 1.61 2.20 -1.26 -4.78 119.74 121.45 1ykn s LYS 390 Ca 0.00 0.07 -0.19 0.00 -0.36 0.00 0.00 55.97 55.49 1ykn s LYS 390 Cb 0.00 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1ykn s LYS 390 CO 0.00 -0.04 0.95 -2.30 -0.36 0.00 0.00 175.35 173.60 1ykn n PRO 391 N 4.51 0.89 -3.82 4.03 -0.02 -1.26 -0.89 135.00 138.44 1ykn n PRO 391 Ca -0.10 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.38 1ykn n PRO 391 Cb 0.51 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.73 1ykn n PRO 391 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ykn s VAL 392 N -1.52 3.17 0.54 -1.45 1.01 0.21 -4.80 120.40 117.58 1ykn s VAL 392 Ca 0.75 -2.51 -0.12 0.00 0.00 0.00 0.00 61.98 60.10 1ykn s VAL 392 Cb -0.42 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1ykn s VAL 392 CO 0.47 -0.74 0.96 -2.16 0.00 0.00 0.00 175.10 173.63 1ykn s PRO 393 N 0.59 3.73 -1.40 2.72 0.04 -1.26 -4.29 135.00 135.13 1ykn s PRO 393 Ca 0.12 0.73 -0.09 0.00 0.04 0.00 0.00 61.00 61.79 1ykn s PRO 393 Cb -0.22 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1ykn s PRO 393 CO -0.04 -0.37 1.08 0.09 0.04 0.00 0.00 177.00 177.80 1ykn n ASN 394 N -2.13 -5.25 -4.63 6.66 5.03 -0.98 -4.94 115.26 109.00 1ykn n ASN 394 Ca 0.05 -0.64 -0.23 0.00 0.87 0.00 0.00 54.58 54.63 1ykn n ASN 394 Cb 0.54 -4.61 -0.08 0.00 -1.02 0.00 0.00 39.78 34.62 1ykn n ASN 394 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1ykn s THR 395 N -3.34 3.16 -0.22 3.41 -1.32 -1.26 -4.55 115.64 111.52 1ykn s THR 395 Ca 0.54 -1.95 -0.16 0.00 -1.21 0.00 0.00 61.69 58.90 1ykn s THR 395 Cb -0.25 -2.79 -0.04 0.00 -1.51 0.00 0.00 72.50 67.91 1ykn s THR 395 CO 0.77 -0.33 0.42 -0.22 -2.21 0.00 0.00 174.62 173.05 1ykn s LEU 396 N -3.68 4.12 -0.26 9.08 2.96 -1.26 -1.81 118.68 127.83 1ykn s LEU 396 Ca 0.32 0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 54.68 1ykn s LEU 396 Cb -0.05 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1ykn s LEU 396 CO 0.20 -0.14 0.01 -0.69 -1.32 0.00 0.00 176.35 174.41 1ykn s VAL 397 N 1.61 3.59 0.17 1.68 1.01 -1.26 -1.81 120.40 125.38 1ykn s VAL 397 Ca 0.19 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1ykn s VAL 397 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1ykn s VAL 397 CO 0.09 0.23 -0.10 -1.61 0.00 0.00 0.00 175.10 173.70 1ykn s GLU 398 N 1.47 2.06 0.02 2.72 2.02 -0.35 -4.23 118.70 122.41 1ykn s GLU 398 Ca 0.03 -1.23 -0.10 0.00 0.02 0.00 0.00 54.97 53.70 1ykn s GLU 398 Cb -0.16 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1ykn s GLU 398 CO -0.01 0.45 0.20 0.00 0.02 0.00 0.00 175.26 175.92 1ykn s MET 399 N -2.70 0.64 0.13 1.61 0.23 -0.64 -0.91 119.30 117.65 1ykn s MET 399 Ca 0.24 -0.51 -0.13 0.00 -1.03 0.00 0.00 55.69 54.26 1ykn s MET 399 Cb -0.09 0.27 0.02 0.00 -1.53 0.00 0.00 34.83 33.49 1ykn s MET 399 CO 0.15 -0.18 0.32 1.67 -2.03 0.00 0.00 175.02 174.95 1ykn s TRP 400 N -2.11 0.02 0.15 3.16 -2.14 -0.85 -2.17 118.94 115.01 1ykn s TRP 400 Ca -0.09 -0.38 -0.25 0.00 2.66 0.00 0.00 56.10 58.04 1ykn s TRP 400 Cb -0.03 0.12 0.07 0.00 -3.10 0.00 0.00 33.47 30.52 1ykn s TRP 400 CO -0.01 -0.67 0.98 1.14 -2.66 0.00 0.00 176.95 175.73 1ykn s GLN 401 N -3.85 1.17 1.01 3.25 -2.07 -0.71 -0.77 119.66 117.68 1ykn s GLN 401 Ca 0.06 -0.66 -0.17 0.00 -1.82 0.00 0.00 55.36 52.78 1ykn s GLN 401 Cb 0.03 0.39 0.22 0.00 -1.09 0.00 0.00 33.01 32.56 1ykn s GLN 401 CO -0.09 -0.54 1.31 0.00 -1.32 0.00 0.00 175.29 174.65 1ykn s ALA 402 N -3.15 1.98 0.43 2.60 0.00 -1.26 -4.67 121.76 117.69 1ykn s ALA 402 Ca 0.13 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1ykn s ALA 402 Cb -0.01 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.38 1ykn s ALA 402 CO 0.02 -2.67 0.31 0.27 0.00 0.00 0.00 175.76 173.70 1ykn n ASN 403 N -3.95 0.50 0.18 0.00 6.94 -0.94 -4.47 115.26 113.52 1ykn n ASN 403 Ca 0.16 -1.40 0.13 0.00 -0.02 0.00 0.00 54.58 53.44 1ykn n ASN 403 Cb 0.59 -0.20 0.63 0.00 -2.36 0.00 0.00 39.78 38.44 1ykn n ASN 403 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykn h ALA 404 N -0.31 1.00 -0.25 -2.53 0.00 -1.77 -1.46 119.26 113.94 1ykn h ALA 404 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ykn h ALA 404 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ykn h ALA 404 CO 0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1ykn n GLY 405 N -0.93 3.61 2.23 0.00 0.00 -1.26 -3.41 105.19 105.44 1ykn n GLY 405 Ca -0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 1ykn n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ykn n GLY 406 N -0.25 0.74 3.79 -0.02 0.00 -0.67 -4.78 105.19 104.01 1ykn n GLY 406 Ca 0.16 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1ykn n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ykn s ARG 407 N -2.01 4.07 -0.06 1.61 6.06 -1.26 -4.72 118.95 122.65 1ykn s ARG 407 Ca 0.00 0.39 -0.01 0.00 -2.50 0.00 0.00 55.73 53.61 1ykn s ARG 407 Cb 0.00 -3.30 -0.03 0.00 0.06 0.00 0.00 34.95 31.68 1ykn s ARG 407 CO 0.00 0.50 0.01 -1.21 -2.50 0.00 0.00 175.30 172.11 1ykn s GLU 408 N -0.47 2.95 -1.23 5.12 2.02 -1.26 -2.21 118.70 123.62 1ykn s GLU 408 Ca 0.24 -0.46 -0.19 0.00 0.02 0.00 0.00 54.97 54.58 1ykn s GLU 408 Cb -0.16 -2.78 0.08 0.00 0.10 0.00 0.00 34.13 31.37 1ykn s GLU 408 CO 0.12 0.68 1.65 0.50 0.02 0.00 0.00 175.26 178.23 1ykn s ARG 409 N -1.14 3.92 -0.14 1.61 3.52 -1.26 -4.76 118.95 120.70 1ykn s ARG 409 Ca 0.16 -1.88 -0.11 0.00 -0.13 0.00 0.00 55.73 53.77 1ykn s ARG 409 Cb -0.11 -5.46 0.04 0.00 -1.56 0.00 0.00 34.95 27.86 1ykn s ARG 409 CO 0.05 -2.20 0.35 -1.58 -0.81 0.00 0.00 175.30 171.12 1ykn s HIS 410 N 4.13 -0.42 0.37 5.12 2.46 -1.26 -5.07 115.29 120.62 1ykn s HIS 410 Ca 0.51 0.99 0.14 0.00 0.47 0.00 0.00 55.06 57.17 1ykn s HIS 410 Cb 0.03 0.15 0.97 0.00 -0.13 0.00 0.00 32.58 33.59 1ykn s HIS 410 CO 0.04 -0.22 1.78 0.87 -2.47 0.00 0.00 174.74 174.74 1ykn h LYS 411 N 5.96 0.51 0.00 2.88 6.56 -2.07 0.23 116.57 130.63 1ykn h LYS 411 Ca -0.29 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1ykn h LYS 411 Cb 1.18 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1ykn h LYS 411 CO 0.29 0.34 0.00 0.09 -2.06 0.00 0.00 179.45 178.11 1ykn n ASN 412 N -4.68 0.00 -4.58 0.86 5.03 -1.26 -4.72 115.26 105.92 1ykn n ASN 412 Ca 0.24 0.35 -0.43 0.00 0.87 0.00 0.00 54.58 55.61 1ykn n ASN 412 Cb 0.75 -0.44 -0.03 0.00 -1.02 0.00 0.00 39.78 39.03 1ykn n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ykn s ASP 413 N -2.89 6.53 -0.06 6.41 2.15 0.80 -4.85 116.67 124.76 1ykn s ASP 413 Ca 0.16 0.22 0.12 0.00 0.43 0.00 0.00 52.55 53.47 1ykn s ASP 413 Cb 0.17 -2.50 0.34 0.00 -0.30 0.00 0.00 42.92 40.63 1ykn s ASP 413 CO 0.45 -1.18 1.27 0.54 -0.17 0.00 0.00 175.17 176.09 1ykn n ARG 414 N 7.55 2.82 -1.70 4.34 5.12 -1.26 -4.90 116.66 128.63 1ykn n ARG 414 Ca 0.08 -2.26 -0.42 0.00 -1.93 0.00 0.00 57.85 53.32 1ykn n ARG 414 Cb 0.49 -1.43 -0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1ykn n ARG 414 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1ykn n TYR 415 N -0.02 2.22 1.33 -1.55 9.36 -1.26 -4.90 117.16 122.33 1ykn n TYR 415 Ca 0.13 0.54 0.07 0.00 3.32 0.00 0.00 57.90 61.97 1ykn n TYR 415 Cb 0.56 -2.40 0.44 0.00 -0.63 0.00 0.00 39.34 37.31 1ykn n TYR 415 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1ykn n LEU 416 N 0.61 0.00 -4.69 2.98 -0.00 -1.26 -4.76 117.00 109.88 1ykn n LEU 416 Ca 0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.65 1ykn n LEU 416 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.76 1ykn n LEU 416 CO 0.61 0.00 0.63 0.00 -0.00 0.00 0.00 177.39 178.64 1ykn s ALA 417 N -2.00 3.35 0.76 1.47 0.00 -1.26 -5.00 121.76 119.09 1ykn s ALA 417 Ca 0.22 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 1ykn s ALA 417 Cb 0.10 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 20.02 1ykn s ALA 417 CO 0.17 -0.41 1.23 -1.25 0.00 0.00 0.00 175.76 175.50 1ykn s PRO 418 N 1.53 1.87 0.66 0.00 0.04 -1.26 -4.68 135.00 133.16 1ykn s PRO 418 Ca 0.44 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 1ykn s PRO 418 Cb -0.18 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1ykn s PRO 418 CO 0.19 -2.06 1.17 -0.51 0.04 0.00 0.00 177.00 175.83 1ykn s LEU 419 N -5.36 3.46 -0.37 -3.56 1.43 -1.26 -4.74 118.68 108.28 1ykn s LEU 419 Ca 0.76 2.24 -0.12 0.00 -1.03 0.00 0.00 54.13 55.97 1ykn s LEU 419 Cb -0.31 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.35 1ykn s LEU 419 CO 0.48 -1.82 0.23 -0.62 0.23 0.00 0.00 176.35 174.84 1ykn s ASP 420 N -2.08 5.85 0.59 2.29 -1.08 -1.26 -4.97 116.67 116.01 1ykn s ASP 420 Ca 0.73 -0.84 0.29 0.00 -0.52 0.00 0.00 52.55 52.20 1ykn s ASP 420 Cb -0.26 -2.07 1.47 0.00 -1.46 0.00 0.00 42.92 40.59 1ykn s ASP 420 CO 0.40 -0.36 1.88 1.55 0.52 0.00 0.00 175.17 179.15 1ykn h PRO 421 N 8.48 0.00 -0.63 4.34 0.13 -1.97 -1.30 132.00 141.06 1ykn h PRO 421 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ykn h PRO 421 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ykn h PRO 421 CO 0.67 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.53 1ykn n ASN 422 N -3.64 4.31 -4.18 1.44 4.13 -1.26 -4.54 115.26 111.52 1ykn n ASN 422 Ca 0.08 -2.30 -0.29 0.00 1.68 0.00 0.00 54.58 53.75 1ykn n ASN 422 Cb 0.67 -0.52 -0.17 0.00 -1.54 0.00 0.00 39.78 38.23 1ykn n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1ykn s PHE 423 N -1.56 2.18 -0.22 3.10 2.19 -0.49 -4.04 117.98 119.15 1ykn s PHE 423 Ca 0.47 -0.80 0.04 0.00 0.33 0.00 0.00 56.93 56.98 1ykn s PHE 423 Cb 0.29 -1.47 -0.16 0.00 -1.31 0.00 0.00 43.02 40.36 1ykn s PHE 423 CO 0.26 -0.32 -0.15 0.41 1.83 0.00 0.00 175.22 177.25 1ykn n GLY 424 N 3.42 -0.42 0.30 13.12 0.00 -1.26 -4.71 105.19 115.63 1ykn n GLY 424 Ca -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ykn n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ykn n GLY 425 N 2.31 0.92 2.94 -0.02 0.00 -1.26 -4.50 105.19 105.58 1ykn n GLY 425 Ca -0.38 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1ykn n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykn s VAL 426 N -2.00 0.42 0.24 1.61 1.01 -1.26 -1.74 120.40 118.67 1ykn s VAL 426 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1ykn s VAL 426 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1ykn s VAL 426 CO 0.00 0.14 0.36 -0.83 0.00 0.00 0.00 175.10 174.77 1ykn s GLY 427 N 0.15 0.90 0.30 4.51 0.00 -0.92 -4.82 107.32 107.44 1ykn s GLY 427 Ca -0.01 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.39 1ykn s GLY 427 CO -0.00 -0.91 0.56 1.09 0.00 0.00 0.00 173.10 173.83 1ykn s ARG 428 N -4.03 1.78 -0.02 2.90 1.70 -0.80 -1.62 118.95 118.87 1ykn s ARG 428 Ca 0.29 -1.37 0.01 0.00 -0.47 0.00 0.00 55.73 54.18 1ykn s ARG 428 Cb 0.02 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1ykn s ARG 428 CO 0.11 -0.77 -0.02 -1.17 -1.08 0.00 0.00 175.30 172.36 1ykn s LEU 430 N -3.07 1.61 0.82 -1.89 2.96 -1.26 -3.47 118.68 114.38 1ykn s LEU 430 Ca 0.22 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 1ykn s LEU 430 Cb -0.02 -0.23 0.09 0.00 0.50 0.00 0.00 46.19 46.52 1ykn s LEU 430 CO 0.12 -0.02 1.11 0.42 -1.32 0.00 0.00 176.35 176.66 1ykn s THR 431 N 0.45 2.89 0.00 3.68 -4.23 -0.75 -4.82 115.64 112.85 1ykn s THR 431 Ca -0.05 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1ykn s THR 431 Cb -0.08 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1ykn s THR 431 CO -0.01 -0.38 0.00 -0.90 -0.54 0.00 0.00 174.62 172.80 1ykn n ASP 432 N -3.73 0.00 0.01 3.99 5.68 0.10 -2.33 116.55 120.27 1ykn n ASP 432 Ca 0.10 -0.93 0.20 0.00 -0.50 0.00 0.00 54.79 53.66 1ykn n ASP 432 Cb 0.53 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.20 1ykn n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ykn h SER 433 N 0.00 0.00 -0.19 -1.12 0.02 -1.95 -1.28 113.55 109.03 1ykn h SER 433 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ykn h SER 433 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ykn h SER 433 CO 0.00 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.16 1ykn n ASP 434 N -4.38 2.46 0.00 3.07 8.00 -1.26 -4.62 116.55 119.83 1ykn n ASP 434 Ca 0.09 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.77 1ykn n ASP 434 Cb 0.59 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1ykn n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykn n GLY 435 N 1.30 0.77 3.82 0.44 0.00 -0.49 -4.72 105.19 106.32 1ykn n GLY 435 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1ykn n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ykn s TYR 436 N -2.17 3.74 0.12 1.61 1.51 -1.26 -0.62 117.35 120.28 1ykn s TYR 436 Ca 0.00 1.20 0.04 0.00 -1.01 0.00 0.00 57.07 57.30 1ykn s TYR 436 Cb 0.00 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1ykn s TYR 436 CO 0.00 0.54 -0.11 1.52 -1.11 0.00 0.00 175.55 176.39 1ykn s TYR 437 N -1.22 1.18 -0.06 2.71 -0.85 -0.72 0.02 117.35 118.42 1ykn s TYR 437 Ca 0.31 -0.67 -0.18 0.00 -0.52 0.00 0.00 57.07 56.01 1ykn s TYR 437 Cb -0.18 -0.63 0.04 0.00 0.38 0.00 0.00 41.96 41.57 1ykn s TYR 437 CO 0.19 0.05 0.42 -1.54 -1.52 0.00 0.00 175.55 173.14 1ykn s SER 438 N -2.66 -0.35 0.10 -0.18 1.04 -1.26 -2.57 113.70 107.82 1ykn s SER 438 Ca 0.09 0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.96 1ykn s SER 438 Cb -0.02 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1ykn s SER 438 CO 0.01 -0.41 -0.11 -0.36 0.98 0.00 0.00 173.24 173.34 1ykn s PHE 439 N -0.94 1.13 -0.07 5.02 0.40 -0.59 -4.89 117.98 118.04 1ykn s PHE 439 Ca -0.10 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 55.67 1ykn s PHE 439 Cb -0.04 -0.62 -0.00 0.00 0.51 0.00 0.00 43.02 42.88 1ykn s PHE 439 CO 0.05 0.03 -0.22 0.50 0.70 0.00 0.00 175.22 176.28 1ykn s ARG 440 N -2.63 2.55 0.00 0.44 3.52 -0.73 -1.71 118.95 120.39 1ykn s ARG 440 Ca 0.05 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1ykn s ARG 440 Cb -0.04 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.31 1ykn s ARG 440 CO 0.01 0.23 0.00 -2.37 -0.81 0.00 0.00 175.30 172.36 1ykn n THR 441 N 3.33 0.00 -4.47 4.11 5.66 0.84 0.52 114.28 124.26 1ykn n THR 441 Ca -0.19 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.50 1ykn n THR 441 Cb 0.53 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.19 1ykn n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1ykn s ILE 442 N -2.68 3.16 0.10 1.09 -5.25 -1.26 -1.42 121.20 114.93 1ykn s ILE 442 Ca 0.00 -1.13 -0.31 0.00 -0.99 0.00 0.00 60.65 58.22 1ykn s ILE 442 Cb 0.00 -2.39 -0.08 0.00 2.95 0.00 0.00 42.46 42.94 1ykn s ILE 442 CO 0.00 0.28 1.43 -0.75 -1.79 0.00 0.00 174.94 174.10 1ykn s LYS 443 N -1.68 4.30 0.66 0.37 2.20 -0.15 -4.89 119.74 120.55 1ykn s LYS 443 Ca 0.17 2.11 -0.11 0.00 -0.36 0.00 0.00 55.97 57.78 1ykn s LYS 443 Cb -0.11 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1ykn s LYS 443 CO 0.08 -0.49 1.06 -1.25 -0.36 0.00 0.00 175.35 174.39 1ykn s PRO 444 N 1.40 3.19 0.40 4.03 0.04 -1.26 -4.42 135.00 138.38 1ykn s PRO 444 Ca 0.66 0.57 0.01 0.00 0.04 0.00 0.00 61.00 62.28 1ykn s PRO 444 Cb -0.37 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1ykn s PRO 444 CO 0.30 -0.82 0.61 0.20 0.04 0.00 0.00 177.00 177.33 1ykn s GLY 445 N -4.28 1.48 0.74 0.56 0.00 -0.64 -4.65 107.32 100.54 1ykn s GLY 445 Ca 0.57 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.13 1ykn s GLY 445 CO 0.52 -0.92 1.09 2.56 0.00 0.00 0.00 173.10 176.36 1ykn s PRO 446 N -4.43 2.56 0.05 2.90 0.05 -1.26 -3.94 135.00 130.93 1ykn s PRO 446 Ca 0.45 0.59 -0.13 0.00 0.05 0.00 0.00 61.00 61.95 1ykn s PRO 446 Cb -0.10 -1.98 0.02 0.00 0.05 0.00 0.00 34.50 32.49 1ykn s PRO 446 CO 0.37 -1.27 0.30 1.52 0.05 0.00 0.00 177.00 177.96 1ykn s TYR 447 N -3.24 -0.09 0.50 0.56 -0.85 -1.20 -4.04 117.35 109.00 1ykn s TYR 447 Ca 0.59 -0.09 -0.10 0.00 -0.52 0.00 0.00 57.07 56.95 1ykn s TYR 447 Cb -0.13 0.09 -0.05 0.00 0.38 0.00 0.00 41.96 42.25 1ykn s TYR 447 CO 0.53 -0.52 0.87 -1.25 -1.52 0.00 0.00 175.55 173.66 1ykn s PRO 448 N -2.76 3.68 0.13 -3.49 0.04 -1.26 -0.11 135.00 131.22 1ykn s PRO 448 Ca -0.03 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.39 1ykn s PRO 448 Cb -0.00 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1ykn s PRO 448 CO -0.05 -0.26 0.35 1.67 0.04 0.00 0.00 177.00 178.75 1ykn s TRP 449 N -2.74 -0.04 -1.07 0.56 1.48 -0.87 -4.85 118.94 111.40 1ykn s TRP 449 Ca 0.52 -0.31 -0.19 0.00 -1.06 0.00 0.00 56.10 55.06 1ykn s TRP 449 Cb -0.10 0.16 0.11 0.00 -1.16 0.00 0.00 33.47 32.47 1ykn s TRP 449 CO 0.42 -0.68 1.38 1.03 -4.06 0.00 0.00 176.95 175.03 1ykn s ARG 450 N -3.84 3.76 0.00 3.25 0.52 -1.26 -4.39 118.95 116.99 1ykn s ARG 450 Ca 0.05 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 53.46 1ykn s ARG 450 Cb 0.02 -5.17 0.00 0.00 0.52 0.00 0.00 34.95 30.33 1ykn s ARG 450 CO -0.10 -1.97 0.00 -1.71 0.02 0.00 0.00 175.30 171.55 1ykn n ASN 451 N 7.28 0.00 -4.43 0.23 5.15 -1.26 -5.04 115.26 117.19 1ykn n ASN 451 Ca 0.33 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.04 1ykn n ASN 451 Cb 0.48 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.87 1ykn n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1ykn s GLY 452 N -0.91 1.75 0.29 8.20 0.00 -1.26 -4.95 107.32 110.44 1ykn s GLY 452 Ca 0.00 -1.29 0.25 0.00 0.00 0.00 0.00 44.72 43.68 1ykn s GLY 452 CO 0.00 -0.64 1.76 -2.55 0.00 0.00 0.00 173.10 171.67 1ykn h PRO 453 N -1.16 0.00 -1.84 2.90 0.11 -1.97 -3.32 132.00 126.72 1ykn h PRO 453 Ca -0.42 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.22 1ykn h PRO 453 Cb 1.26 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.97 1ykn h PRO 453 CO 0.43 0.00 -1.15 -1.71 -0.21 0.00 0.00 178.00 175.36 1ykn n ASN 454 N -2.39 1.29 -4.80 -2.05 5.15 -1.26 -5.08 115.26 106.12 1ykn n ASN 454 Ca 0.03 -3.02 -0.35 0.00 -0.60 0.00 0.00 54.58 50.63 1ykn n ASN 454 Cb 0.30 -0.60 -0.07 0.00 -0.53 0.00 0.00 39.78 38.88 1ykn n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ykn s ASP 455 N -2.65 5.91 -0.04 1.20 1.01 -1.25 -5.07 116.67 115.78 1ykn s ASP 455 Ca 0.39 0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.95 1ykn s ASP 455 Cb 0.36 -1.80 0.03 0.00 1.01 0.00 0.00 42.92 42.52 1ykn s ASP 455 CO -0.07 0.36 -0.01 0.26 0.21 0.00 0.00 175.17 175.92 1ykn s TRP 456 N -1.04 0.50 0.16 4.23 0.52 -1.26 -2.04 118.94 120.00 1ykn s TRP 456 Ca 0.17 -0.08 -0.30 0.00 0.02 0.00 0.00 56.10 55.91 1ykn s TRP 456 Cb -0.12 -0.54 -0.07 0.00 -1.15 0.00 0.00 33.47 31.59 1ykn s TRP 456 CO 0.07 -0.17 1.07 1.03 0.02 0.00 0.00 176.95 178.97 1ykn s ARG 457 N 1.11 4.61 1.08 4.98 1.81 0.84 -4.75 118.95 128.64 1ykn s ARG 457 Ca -0.08 1.66 -0.12 0.00 -1.72 0.00 0.00 55.73 55.47 1ykn s ARG 457 Cb -0.14 -3.30 0.24 0.00 -0.45 0.00 0.00 34.95 31.30 1ykn s ARG 457 CO -0.01 0.10 1.06 -2.30 -0.68 0.00 0.00 175.30 173.47 1ykn n PRO 458 N 2.50 -1.71 -1.99 3.54 -0.02 -1.26 -3.22 135.00 132.84 1ykn n PRO 458 Ca 0.03 -0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 60.64 1ykn n PRO 458 Cb 0.47 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 1ykn n PRO 458 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ykn s ALA 459 N -2.49 3.58 0.15 3.55 0.00 -1.26 -4.72 121.76 120.56 1ykn s ALA 459 Ca 0.68 1.37 -0.21 0.00 0.00 0.00 0.00 51.96 53.80 1ykn s ALA 459 Cb -0.25 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.39 1ykn s ALA 459 CO 0.62 -0.78 0.55 -3.38 0.00 0.00 0.00 175.76 172.77 1ykn s HIS 460 N -0.65 -0.45 -0.11 0.00 -3.43 -1.26 -4.13 115.29 105.26 1ykn s HIS 460 Ca 0.54 0.21 0.02 0.00 -0.80 0.00 0.00 55.06 55.03 1ykn s HIS 460 Cb -0.42 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 31.22 1ykn s HIS 460 CO 0.51 -0.81 -0.17 0.42 -2.00 0.00 0.00 174.74 172.68 1ykn s ILE 461 N -3.77 1.65 0.37 -5.38 1.01 -0.83 -4.61 121.20 109.65 1ykn s ILE 461 Ca 0.02 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 1ykn s ILE 461 Cb -0.00 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.89 1ykn s ILE 461 CO -0.13 0.47 1.11 -1.00 0.00 0.00 0.00 174.94 175.40 1ykn s HIS 462 N 0.87 3.24 0.01 3.97 3.76 0.05 -1.83 115.29 125.36 1ykn s HIS 462 Ca -0.08 1.61 0.06 0.00 -0.15 0.00 0.00 55.06 56.50 1ykn s HIS 462 Cb -0.15 -3.28 -0.02 0.00 1.11 0.00 0.00 32.58 30.24 1ykn s HIS 462 CO -0.00 -0.93 -0.20 -0.06 -0.85 0.00 0.00 174.74 172.71 1ykn s PHE 463 N -1.44 1.73 -0.05 1.40 0.40 -0.03 -2.00 117.98 118.00 1ykn s PHE 463 Ca 0.55 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1ykn s PHE 463 Cb -0.28 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.18 1ykn s PHE 463 CO 0.35 0.02 -0.12 0.20 0.70 0.00 0.00 175.22 176.37 1ykn s GLY 464 N -0.74 0.73 -0.04 4.36 0.00 -0.09 -1.35 107.32 110.19 1ykn s GLY 464 Ca 0.07 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.35 1ykn s GLY 464 CO 0.00 -0.07 -0.06 -0.42 0.00 0.00 0.00 173.10 172.55 1ykn s ILE 465 N 0.34 0.65 -0.09 0.90 1.09 -0.37 -1.21 121.20 122.51 1ykn s ILE 465 Ca -0.08 -0.21 -0.26 0.00 -1.10 0.00 0.00 60.65 59.00 1ykn s ILE 465 Cb -0.12 -0.64 -0.25 0.00 -1.06 0.00 0.00 42.46 40.38 1ykn s ILE 465 CO 0.02 0.24 0.92 0.77 -0.10 0.00 0.00 174.94 176.79 1ykn h SER 466 N 7.00 0.12 -3.15 3.58 4.64 -1.65 -2.08 113.55 122.01 1ykn h SER 466 Ca -0.36 -0.87 0.17 0.00 -0.47 0.00 0.00 61.79 60.26 1ykn h SER 466 Cb 1.16 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1ykn h SER 466 CO 0.48 0.97 -0.23 0.61 -0.87 0.00 0.00 176.83 177.79 1ykn n GLY 467 N 1.28 -1.85 0.00 -0.77 0.00 -1.26 -2.94 105.19 99.65 1ykn n GLY 467 Ca -0.10 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.80 1ykn n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ykn n PRO 468 N -2.49 0.40 -3.98 1.61 -0.04 -1.26 -4.86 135.00 124.37 1ykn n PRO 468 Ca 0.00 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 1ykn n PRO 468 Cb 0.29 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1ykn n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ykn s SER 469 N -2.57 0.17 0.33 3.54 1.04 -1.26 -3.43 113.70 111.51 1ykn s SER 469 Ca 0.27 -1.08 0.26 0.00 0.48 0.00 0.00 55.95 55.88 1ykn s SER 469 Cb 0.19 0.66 1.05 0.00 0.10 0.00 0.00 66.02 68.01 1ykn s SER 469 CO 0.43 -1.28 1.78 0.16 0.98 0.00 0.00 173.24 175.30 1ykn h ILE 470 N 2.16 0.00 0.00 -1.02 3.07 -1.16 -2.54 117.51 118.01 1ykn h ILE 470 Ca -0.27 -0.34 -0.07 0.00 1.55 0.00 0.00 64.86 65.74 1ykn h ILE 470 Cb 1.25 1.16 -0.01 0.00 -0.27 0.00 0.00 36.82 38.95 1ykn h ILE 470 CO 0.36 0.00 -0.31 0.00 -1.05 0.00 0.00 178.15 177.15 1ykn h ALA 471 N 2.22 1.14 -0.00 0.16 0.00 -1.79 -3.11 119.26 117.87 1ykn h ALA 471 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ykn h ALA 471 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ykn h ALA 471 CO 0.00 0.39 -0.83 0.25 0.00 0.00 0.00 179.25 179.06 1ykn n THR 472 N -3.67 0.00 -1.77 0.00 -2.24 -0.97 -4.92 114.28 100.71 1ykn n THR 472 Ca -0.01 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 1ykn n THR 472 Cb 0.43 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1ykn n THR 472 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ykn s LYS 473 N -2.88 4.10 -0.06 -0.78 2.47 -1.15 -4.75 119.74 116.71 1ykn s LYS 473 Ca 0.11 2.60 -0.10 0.00 -1.56 0.00 0.00 55.97 57.02 1ykn s LYS 473 Cb 0.17 -2.99 0.02 0.00 -1.46 0.00 0.00 37.83 33.57 1ykn s LYS 473 CO 0.78 -0.60 0.24 -1.17 0.16 0.00 0.00 175.35 174.76 1ykn s LEU 474 N -1.36 1.12 -0.07 5.43 2.96 -0.78 -5.01 118.68 120.96 1ykn s LEU 474 Ca 0.58 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 1ykn s LEU 474 Cb -0.48 0.91 -0.00 0.00 0.50 0.00 0.00 46.19 47.12 1ykn s LEU 474 CO 0.56 -0.23 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.52 1ykn s ILE 475 N -0.53 1.83 0.07 6.68 1.01 -1.26 -1.24 121.20 127.77 1ykn s ILE 475 Ca -0.06 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1ykn s ILE 475 Cb -0.04 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 1ykn s ILE 475 CO 0.01 0.51 0.08 1.07 0.00 0.00 0.00 174.94 176.62 1ykn n THR 476 N 3.33 0.00 -4.31 2.92 5.66 -0.45 -5.00 114.28 116.42 1ykn n THR 476 Ca -0.19 -0.47 -0.18 0.00 -3.05 0.00 0.00 64.05 60.16 1ykn n THR 476 Cb 0.53 0.25 -0.14 0.00 -1.55 0.00 0.00 70.33 69.42 1ykn n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1ykn s GLN 477 N -2.24 0.74 0.05 1.09 -0.21 -1.26 -0.85 119.66 116.97 1ykn s GLN 477 Ca 0.08 -0.48 -0.04 0.00 0.02 0.00 0.00 55.36 54.94 1ykn s GLN 477 Cb 0.00 -0.69 -0.05 0.00 1.00 0.00 0.00 33.01 33.27 1ykn s GLN 477 CO 0.05 0.18 0.27 -1.17 -2.12 0.00 0.00 175.29 172.50 1ykn s LEU 478 N -0.61 4.35 0.33 2.90 0.20 -0.76 -4.85 118.68 120.24 1ykn s LEU 478 Ca 0.01 0.47 0.05 0.00 0.69 0.00 0.00 54.13 55.35 1ykn s LEU 478 Cb -0.05 -2.87 -0.07 0.00 -0.43 0.00 0.00 46.19 42.78 1ykn s LEU 478 CO 0.00 0.19 0.03 -0.31 -0.29 0.00 0.00 176.35 175.97 1ykn s TYR 479 N -1.43 2.05 -0.07 5.38 1.51 0.00 -1.96 117.35 122.83 1ykn s TYR 479 Ca 0.32 -0.87 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1ykn s TYR 479 Cb -0.13 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 1ykn s TYR 479 CO 0.21 0.13 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.65 1ykn s PHE 480 N -3.16 2.95 0.21 2.71 0.40 -1.26 0.06 117.98 119.89 1ykn s PHE 480 Ca 0.35 -0.00 -0.32 0.00 -0.60 0.00 0.00 56.93 56.36 1ykn s PHE 480 Cb 0.08 -1.73 -0.14 0.00 0.51 0.00 0.00 43.02 41.74 1ykn s PHE 480 CO 0.15 0.31 1.45 -1.91 0.70 0.00 0.00 175.22 175.92 1ykn n GLU 481 N 2.32 2.02 0.00 0.44 2.13 -0.45 -2.14 120.64 124.95 1ykn n GLU 481 Ca -0.18 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1ykn n GLU 481 Cb 0.53 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1ykn n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ykn n GLY 482 N 2.54 3.03 3.52 8.31 0.00 -1.26 -4.99 105.19 116.35 1ykn n GLY 482 Ca 0.13 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.62 1ykn n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ykn n ASP 483 N 0.00 2.17 0.03 1.61 4.64 -0.91 -4.79 116.55 119.29 1ykn n ASP 483 Ca 0.00 0.67 0.06 0.00 -1.38 0.00 0.00 54.79 54.14 1ykn n ASP 483 Cb 0.00 -1.20 0.26 0.00 -1.04 0.00 0.00 41.12 39.14 1ykn n ASP 483 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1ykn n PRO 484 N 7.20 0.03 0.09 -0.67 -0.04 -1.26 -2.14 135.00 138.22 1ykn n PRO 484 Ca 0.37 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 1ykn n PRO 484 Cb 0.18 -1.57 0.45 0.00 -0.04 0.00 0.00 33.50 32.51 1ykn n PRO 484 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ykn n LEU 485 N -1.63 0.65 0.17 1.53 4.77 -1.26 -4.24 117.00 116.99 1ykn n LEU 485 Ca 0.02 0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 56.44 1ykn n LEU 485 Cb 0.12 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 1ykn n LEU 485 CO 0.10 -0.24 0.75 0.40 -1.33 0.00 0.00 177.39 177.07 1ykn h ILE 486 N 0.00 0.64 0.00 -0.08 2.04 -1.80 -2.20 117.51 116.10 1ykn h ILE 486 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ykn h ILE 486 Cb 0.61 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1ykn h ILE 486 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.34 1ykn n PRO 487 N -5.30 0.55 0.00 2.37 -0.04 -1.26 -2.32 135.00 129.00 1ykn n PRO 487 Ca -0.09 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1ykn n PRO 487 Cb 0.21 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 1ykn n PRO 487 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ykn n MET 488 N -1.04 1.47 -2.57 0.54 2.81 -0.84 -4.93 117.12 112.55 1ykn n MET 488 Ca 0.14 -0.15 -0.42 0.00 -1.81 0.00 0.00 57.70 55.46 1ykn n MET 488 Cb 0.08 -1.30 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 1ykn n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ykn h PRO 490 N 6.30 0.00 -0.31 0.00 0.13 -1.91 -0.49 132.00 135.72 1ykn h PRO 490 Ca -0.42 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.56 1ykn h PRO 490 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ykn h PRO 490 CO 0.76 0.21 -0.39 0.82 -0.23 0.00 0.00 178.00 179.18 1ykn h ILE 491 N 0.00 1.29 -0.33 -3.56 2.04 -1.92 -1.80 117.51 113.23 1ykn h ILE 491 Ca -0.00 -1.57 -0.16 0.00 1.00 0.00 0.00 64.86 64.13 1ykn h ILE 491 Cb 0.69 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1ykn h ILE 491 CO 0.03 0.51 -0.43 0.58 0.00 0.00 0.00 178.15 178.84 1ykn h VAL 492 N 0.59 1.28 0.00 1.67 2.07 -1.78 -2.14 116.25 117.95 1ykn h VAL 492 Ca 0.04 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1ykn h VAL 492 Cb 0.98 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1ykn h VAL 492 CO 0.09 0.53 0.00 0.29 0.02 0.00 0.00 177.57 178.50 1ykn n LYS 493 N -4.04 0.54 0.26 1.57 5.02 -0.23 -1.27 118.16 120.02 1ykn n LYS 493 Ca -0.03 0.03 0.18 0.00 -2.02 0.00 0.00 58.31 56.47 1ykn n LYS 493 Cb 0.56 -1.50 0.87 0.00 -0.02 0.00 0.00 35.03 34.94 1ykn n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ykn h SER 494 N 0.00 0.00 -3.46 4.39 4.64 -0.62 -3.38 113.55 115.12 1ykn h SER 494 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1ykn h SER 494 Cb 0.05 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.04 1ykn h SER 494 CO 0.00 0.00 0.36 -0.63 -0.87 0.00 0.00 176.83 175.69 1ykn s ILE 495 N -3.80 4.81 0.15 0.95 1.01 -0.39 -4.12 121.20 119.80 1ykn s ILE 495 Ca -0.02 1.10 -0.09 0.00 0.00 0.00 0.00 60.65 61.65 1ykn s ILE 495 Cb 0.10 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.35 1ykn s ILE 495 CO 0.41 -0.26 1.43 0.00 0.00 0.00 0.00 174.94 176.52 1ykn h ALA 496 N 8.17 0.53 -2.35 9.38 0.00 -1.85 -3.44 119.26 129.70 1ykn h ALA 496 Ca -0.25 -0.52 -0.60 0.00 0.00 0.00 0.00 54.91 53.54 1ykn h ALA 496 Cb 1.10 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1ykn h ALA 496 CO 0.88 0.69 0.35 1.21 0.00 0.00 0.00 179.25 182.37 1ykn s ASN 497 N -6.95 6.72 0.62 0.00 3.04 -1.26 -4.97 114.94 112.14 1ykn s ASN 497 Ca -0.09 0.88 0.39 0.00 0.04 0.00 0.00 52.86 54.08 1ykn s ASN 497 Cb 0.10 -2.40 2.14 0.00 -1.54 0.00 0.00 41.25 39.56 1ykn s ASN 497 CO 0.88 -0.47 2.21 1.55 -3.04 0.00 0.00 177.10 178.22 1ykn h PRO 498 N 7.80 0.00 0.00 0.43 0.13 -2.00 -1.17 132.00 137.18 1ykn h PRO 498 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 1ykn h PRO 498 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1ykn h PRO 498 CO 0.84 0.00 -0.28 0.93 -0.23 0.00 0.00 178.00 179.26 1ykn h GLU 499 N 0.00 0.00 -0.05 0.86 5.08 -1.98 -2.84 114.58 115.64 1ykn h GLU 499 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1ykn h GLU 499 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1ykn h GLU 499 CO 0.00 0.28 -0.72 0.00 -1.00 0.00 0.00 179.01 177.57 1ykn h ALA 500 N 1.72 0.67 -0.47 3.43 0.00 -1.56 -2.97 119.26 120.08 1ykn h ALA 500 Ca -0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1ykn h ALA 500 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1ykn h ALA 500 CO 0.04 0.79 0.16 0.28 0.00 0.00 0.00 179.25 180.51 1ykn h VAL 501 N 0.20 1.19 -0.78 0.00 2.07 -1.35 -2.77 116.25 114.80 1ykn h VAL 501 Ca -0.02 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1ykn h VAL 501 Cb 1.28 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1ykn h VAL 501 CO 0.12 0.24 0.33 1.56 0.02 0.00 0.00 177.57 179.83 1ykn h GLN 502 N 0.67 1.16 0.00 1.57 1.08 -1.38 0.11 115.11 118.32 1ykn h GLN 502 Ca 0.16 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ykn h GLN 502 Cb 0.18 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1ykn h GLN 502 CO -0.01 0.92 0.00 1.96 -0.95 0.00 0.00 178.83 180.75 1ykn h GLN 503 N 1.13 0.00 -0.01 1.46 4.20 -1.45 -2.92 115.11 117.51 1ykn h GLN 503 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1ykn h GLN 503 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1ykn h GLN 503 CO -0.02 0.00 -0.10 1.28 -0.67 0.00 0.00 178.83 179.32 1ykn n LEU 504 N -2.32 1.55 -4.56 1.46 4.77 0.03 -4.90 117.00 113.02 1ykn n LEU 504 Ca -0.00 -0.50 -0.39 0.00 -0.03 0.00 0.00 56.01 55.09 1ykn n LEU 504 Cb 0.12 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1ykn n LEU 504 CO 0.14 0.27 -0.14 -0.63 -1.33 0.00 0.00 177.39 175.70 1ykn s ILE 505 N -2.17 5.29 0.07 -0.08 1.01 -1.11 -0.82 121.20 123.39 1ykn s ILE 505 Ca 0.32 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 1ykn s ILE 505 Cb 0.20 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 1ykn s ILE 505 CO 0.40 0.12 1.11 0.00 0.00 0.00 0.00 174.94 176.57 1ykn s ALA 506 N 1.76 3.31 0.01 9.38 0.00 0.11 -4.85 121.76 131.49 1ykn s ALA 506 Ca 0.07 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 52.67 1ykn s ALA 506 Cb -0.17 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1ykn s ALA 506 CO 0.11 -0.32 0.34 0.15 0.00 0.00 0.00 175.76 176.04 1ykn s LYS 507 N 0.75 3.73 0.28 0.00 -0.14 -1.06 -1.35 119.74 121.96 1ykn s LYS 507 Ca 0.55 0.16 -0.30 0.00 -1.36 0.00 0.00 55.97 55.02 1ykn s LYS 507 Cb -0.27 -3.11 -0.12 0.00 -1.68 0.00 0.00 37.83 32.65 1ykn s LYS 507 CO 0.30 0.65 1.49 -0.11 -0.76 0.00 0.00 175.35 176.92 1ykn n LEU 508 N 1.38 3.78 -3.65 3.17 7.94 -1.26 -1.51 117.00 126.84 1ykn n LEU 508 Ca -0.12 1.15 -0.27 0.00 -1.11 0.00 0.00 56.01 55.66 1ykn n LEU 508 Cb 0.53 -1.52 -0.11 0.00 0.53 0.00 0.00 43.42 42.85 1ykn n LEU 508 CO 0.39 -0.17 -0.14 -0.67 -1.11 0.00 0.00 177.39 175.69 1ykn n ASP 509 N 1.99 1.73 0.07 1.96 -0.08 0.26 -4.85 116.55 117.64 1ykn n ASP 509 Ca 0.09 -2.92 0.07 0.00 -1.51 0.00 0.00 54.79 50.53 1ykn n ASP 509 Cb 0.34 -0.67 0.33 0.00 2.34 0.00 0.00 41.12 43.46 1ykn n ASP 509 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1ykn n MET 510 N 2.15 0.08 0.06 -0.67 2.81 -1.26 -2.38 117.12 117.91 1ykn n MET 510 Ca 0.24 0.48 -0.11 0.00 -1.81 0.00 0.00 57.70 56.51 1ykn n MET 510 Cb 0.41 -1.71 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1ykn n MET 510 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1ykn h ASN 511 N 0.00 0.46 0.01 7.83 2.35 -1.94 -3.00 115.58 121.28 1ykn h ASN 511 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1ykn h ASN 511 Cb 0.11 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1ykn h ASN 511 CO 0.00 1.10 -0.07 -3.20 -1.65 0.00 0.00 177.43 173.61 1ykn n ASN 512 N -3.78 1.93 -4.78 5.81 5.15 -1.00 -4.96 115.26 113.63 1ykn n ASN 512 Ca -0.05 -1.57 -0.32 0.00 -0.60 0.00 0.00 54.58 52.04 1ykn n ASN 512 Cb 0.76 0.06 0.06 0.00 -0.53 0.00 0.00 39.78 40.13 1ykn n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ykn s ALA 513 N -2.10 2.46 -0.39 5.20 0.00 -1.14 -4.73 121.76 121.05 1ykn s ALA 513 Ca 0.32 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 1ykn s ALA 513 Cb 0.20 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1ykn s ALA 513 CO 0.37 -1.37 0.33 -0.80 0.00 0.00 0.00 175.76 174.29 1ykn s ASN 514 N -3.01 6.13 0.46 0.00 0.01 0.11 -4.98 114.94 113.67 1ykn s ASN 514 Ca 0.64 -0.69 -0.23 0.00 -0.71 0.00 0.00 52.86 51.87 1ykn s ASN 514 Cb -0.18 -2.18 -0.09 0.00 0.41 0.00 0.00 41.25 39.21 1ykn s ASN 514 CO 0.47 -0.44 1.03 -2.65 -1.51 0.00 0.00 177.10 174.00 1ykn n PRO 515 N 5.30 1.33 -1.47 -0.60 -0.01 -1.26 -1.47 135.00 136.82 1ykn n PRO 515 Ca -0.10 0.48 -0.16 0.00 -0.01 0.00 0.00 63.50 63.71 1ykn n PRO 515 Cb 0.48 -2.11 -0.07 0.00 -0.01 0.00 0.00 33.50 31.79 1ykn n PRO 515 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 175.50 174.16 1ykn n MET 516 N -0.11 -1.56 0.00 -0.52 2.81 -1.26 -4.74 117.12 111.74 1ykn n MET 516 Ca 0.10 1.06 0.00 0.00 -1.81 0.00 0.00 57.70 57.05 1ykn n MET 516 Cb 0.41 -5.46 0.00 0.00 -0.71 0.00 0.00 33.22 27.46 1ykn n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ykn n ASP 517 N -1.24 0.00 -3.82 7.83 2.03 -0.54 -5.16 116.55 115.65 1ykn n ASP 517 Ca -0.16 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.03 1ykn n ASP 517 Cb 0.64 0.02 -0.09 0.00 -0.72 0.00 0.00 41.12 40.97 1ykn n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ykn s LEU 519 N -1.57 2.75 -0.03 0.00 1.43 -1.07 -0.71 118.68 119.47 1ykn s LEU 519 Ca -0.11 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1ykn s LEU 519 Cb -0.05 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.61 1ykn s LEU 519 CO 0.01 -2.21 0.11 0.00 0.23 0.00 0.00 176.35 174.48 1ykn s ALA 520 N -3.58 -0.26 0.15 4.21 0.00 -1.26 -0.05 121.76 120.98 1ykn s ALA 520 Ca 0.68 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.93 1ykn s ALA 520 Cb -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1ykn s ALA 520 CO 0.49 -0.08 -0.17 0.71 0.00 0.00 0.00 175.76 176.71 1ykn s TYR 521 N -0.23 2.50 -0.11 0.00 1.51 0.11 -0.57 117.35 120.56 1ykn s TYR 521 Ca -0.03 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1ykn s TYR 521 Cb -0.02 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1ykn s TYR 521 CO 0.00 0.44 -0.16 0.50 -1.11 0.00 0.00 175.55 175.23 1ykn s ARG 522 N -2.43 3.17 -0.11 -0.62 6.06 -0.57 -1.11 118.95 123.34 1ykn s ARG 522 Ca 0.20 -0.73 -0.04 0.00 -2.50 0.00 0.00 55.73 52.67 1ykn s ARG 522 Cb -0.10 -2.52 0.05 0.00 0.06 0.00 0.00 34.95 32.44 1ykn s ARG 522 CO 0.11 0.27 0.10 0.12 -2.50 0.00 0.00 175.30 173.40 1ykn s PHE 523 N 0.17 0.06 -0.11 5.12 5.36 0.14 -2.55 117.98 126.17 1ykn s PHE 523 Ca -0.09 0.07 -0.08 0.00 -0.96 0.00 0.00 56.93 55.88 1ykn s PHE 523 Cb -0.15 -0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 41.95 1ykn s PHE 523 CO 0.05 -0.36 0.16 -0.51 -1.46 0.00 0.00 175.22 173.10 1ykn s ASP 524 N 2.18 6.42 -0.06 6.13 1.01 -1.26 -3.92 116.67 127.16 1ykn s ASP 524 Ca 0.04 0.50 0.04 0.00 0.71 0.00 0.00 52.55 53.83 1ykn s ASP 524 Cb -0.14 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 1ykn s ASP 524 CO -0.06 0.40 -0.17 -0.63 0.21 0.00 0.00 175.17 174.92 1ykn s ILE 525 N -1.01 2.81 -0.26 0.77 1.01 -0.65 -4.94 121.20 118.94 1ykn s ILE 525 Ca 0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1ykn s ILE 525 Cb -0.12 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.28 1ykn s ILE 525 CO 0.05 0.58 -0.04 -0.69 0.00 0.00 0.00 174.94 174.83 1ykn s VAL 526 N -0.45 2.95 0.57 2.92 1.01 -1.26 -2.03 120.40 124.10 1ykn s VAL 526 Ca 0.05 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1ykn s VAL 526 Cb -0.12 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.76 1ykn s VAL 526 CO 0.02 0.12 0.79 -0.76 0.00 0.00 0.00 175.10 175.27 1ykn s LEU 527 N 1.31 3.24 0.41 3.92 1.43 -0.69 -4.90 118.68 123.40 1ykn s LEU 527 Ca -0.01 -0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 1ykn s LEU 527 Cb -0.17 -2.75 -0.10 0.00 0.03 0.00 0.00 46.19 43.20 1ykn s LEU 527 CO -0.03 -1.21 1.43 -0.13 0.23 0.00 0.00 176.35 176.63 1ykn s ARG 528 N -4.79 3.95 0.38 1.70 0.52 -1.26 -1.56 118.95 117.88 1ykn s ARG 528 Ca 0.58 2.45 -0.28 0.00 -0.52 0.00 0.00 55.73 57.96 1ykn s ARG 528 Cb -0.10 -2.83 -0.10 0.00 0.52 0.00 0.00 34.95 32.44 1ykn s ARG 528 CO 0.39 -0.62 1.43 0.20 0.02 0.00 0.00 175.30 176.72 1ykn s GLY 529 N -0.37 2.95 -0.06 -3.53 0.00 -1.26 -4.26 107.32 100.79 1ykn s GLY 529 Ca 0.56 1.47 0.04 0.00 0.00 0.00 0.00 44.72 46.79 1ykn s GLY 529 CO 0.58 2.13 -0.17 1.62 0.00 0.00 0.00 173.10 177.26 1ykn s GLN 530 N -2.07 2.62 0.06 2.90 0.74 -1.26 -0.97 119.66 121.68 1ykn s GLN 530 Ca 0.53 -0.76 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 1ykn s GLN 530 Cb -0.44 -2.34 -0.03 0.00 1.10 0.00 0.00 33.01 31.29 1ykn s GLN 530 CO 0.59 0.50 0.01 -0.98 -0.55 0.00 0.00 175.29 174.86 1ykn s ARG 531 N -0.43 0.65 0.53 1.67 1.70 -0.31 -4.97 118.95 117.79 1ykn s ARG 531 Ca 0.05 -1.17 -0.19 0.00 -0.47 0.00 0.00 55.73 53.95 1ykn s ARG 531 Cb -0.12 0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.43 1ykn s ARG 531 CO 0.02 -0.14 1.07 -1.59 -1.08 0.00 0.00 175.30 173.58 1ykn s LYS 532 N -3.89 3.51 0.60 3.89 -2.85 -1.26 -1.60 119.74 118.14 1ykn s LYS 532 Ca 0.06 1.41 -0.18 0.00 -1.00 0.00 0.00 55.97 56.26 1ykn s LYS 532 Cb 0.07 -2.05 -0.03 0.00 -2.06 0.00 0.00 37.83 33.76 1ykn s LYS 532 CO -0.10 -0.68 1.18 0.95 0.10 0.00 0.00 175.35 176.80 1ykn s THR 533 N -2.03 2.81 -0.05 3.79 -4.23 -1.15 -4.73 115.64 110.05 1ykn s THR 533 Ca 0.68 0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 61.59 1ykn s THR 533 Cb -0.19 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.51 1ykn s THR 533 CO 0.26 -0.13 0.20 -1.38 -0.54 0.00 0.00 174.62 173.04 1ykn s HIS 534 N -1.74 -0.16 -1.38 3.99 -3.43 -1.26 -4.93 115.29 106.38 1ykn s HIS 534 Ca 0.75 0.36 0.00 0.00 -0.80 0.00 0.00 55.06 55.37 1ykn s HIS 534 Cb -0.28 0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 1ykn s HIS 534 CO 0.33 -0.19 0.00 1.19 -2.00 0.00 0.00 174.74 174.07 1ykn n PHE 535 N 2.40 -0.71 -3.02 0.38 3.01 -1.26 -4.96 117.46 113.30 1ykn n PHE 535 Ca -0.16 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.92 1ykn n PHE 535 Cb 0.57 -2.80 -0.06 0.00 -0.01 0.00 0.00 39.48 37.18 1ykn n PHE 535 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1ykn s GLU 536 N -3.90 4.45 -0.94 -1.08 2.02 -1.26 -3.94 118.70 114.05 1ykn s GLU 536 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.05 1ykn s GLU 536 Cb 0.00 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1ykn s GLU 536 CO 0.00 0.49 0.00 0.09 0.02 0.00 0.00 175.26 175.86 1ykn n ASN 537 N 1.21 -5.58 0.00 -0.19 3.02 -1.26 -5.23 115.26 107.23 1ykn n ASN 537 Ca -0.04 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1ykn n ASN 537 Cb 0.50 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1ykn n ASN 537 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64