#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvx s LYS 302 N 0.00 2.62 0.09 0.03 -0.14 -1.26 -4.86 119.74 116.22 2pvx s LYS 302 Ca 0.00 -1.28 0.09 0.00 -1.36 0.00 0.00 55.97 53.42 2pvx s LYS 302 Cb 0.00 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.75 2pvx s LYS 302 CO 0.00 0.29 -0.22 0.15 -0.76 0.00 0.00 175.35 174.81 2pvx s LYS 303 N -3.82 1.72 -0.02 1.68 1.02 -1.26 -1.22 119.74 117.84 2pvx s LYS 303 Ca 0.35 -1.18 0.02 0.00 0.02 0.00 0.00 55.97 55.17 2pvx s LYS 303 Cb -0.06 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2pvx s LYS 303 CO 0.23 0.49 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.50 2pvx s TRP 304 N -1.02 0.73 -0.12 3.18 0.52 -0.07 -0.80 118.94 121.36 2pvx s TRP 304 Ca 0.15 -0.16 -0.03 0.00 0.02 0.00 0.00 56.10 56.08 2pvx s TRP 304 Cb -0.10 -0.52 -0.03 0.00 -1.15 0.00 0.00 33.47 31.67 2pvx s TRP 304 CO 0.07 -0.06 -0.00 0.54 0.02 0.00 0.00 176.95 177.51 2pvx s VAL 305 N 0.12 4.25 -0.19 4.03 0.11 0.32 -0.35 120.40 128.69 2pvx s VAL 305 Ca -0.01 -0.25 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 2pvx s VAL 305 Cb -0.06 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.93 2pvx s VAL 305 CO -0.00 0.54 1.45 0.00 -3.33 0.00 0.00 175.10 173.77 2pvx n THR 307 N 5.87 0.37 -0.11 0.00 -2.24 -0.50 -0.77 114.28 116.89 2pvx n THR 307 Ca 0.16 0.09 -0.23 0.00 -2.27 0.00 0.00 64.05 61.80 2pvx n THR 307 Cb 0.45 -0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 67.83 2pvx n THR 307 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pvx n VAL 308 N -1.31 1.54 -0.07 2.28 0.31 -1.26 -4.77 118.33 115.04 2pvx n VAL 308 Ca 0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2pvx n VAL 308 Cb 0.18 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 2pvx n VAL 308 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pvx n GLY 310 N 0.36 0.85 3.74 0.00 0.00 0.05 -5.02 105.19 105.16 2pvx n GLY 310 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2pvx n GLY 310 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pvx n TYR 311 N -2.05 2.70 -3.68 1.61 9.36 -1.26 -4.56 117.16 119.28 2pvx n TYR 311 Ca 0.00 0.39 -0.38 0.00 3.32 0.00 0.00 57.90 61.24 2pvx n TYR 311 Cb 0.00 -2.53 -0.12 0.00 -0.63 0.00 0.00 39.34 36.07 2pvx n TYR 311 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pvx s ILE 312 N -0.57 4.60 -0.24 2.97 -1.09 -1.26 -0.18 121.20 125.44 2pvx s ILE 312 Ca 0.60 -0.25 -0.24 0.00 -2.23 0.00 0.00 60.65 58.52 2pvx s ILE 312 Cb -0.52 -3.26 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 2pvx s ILE 312 CO 0.56 0.19 0.82 -0.47 -1.23 0.00 0.00 174.94 174.80 2pvx s TYR 313 N 1.63 3.31 -0.29 3.97 5.04 0.52 -4.93 117.35 126.61 2pvx s TYR 313 Ca 0.06 1.12 -0.08 0.00 -2.44 0.00 0.00 57.07 55.72 2pvx s TYR 313 Cb -0.16 -3.04 -0.01 0.00 0.35 0.00 0.00 41.96 39.10 2pvx s TYR 313 CO 0.06 -0.39 0.11 0.34 -1.34 0.00 0.00 175.55 174.33 2pvx s ASP 314 N 1.34 5.35 0.40 4.32 2.15 -1.26 -0.89 116.67 128.08 2pvx s ASP 314 Ca 0.34 -0.47 0.13 0.00 0.43 0.00 0.00 52.55 52.99 2pvx s ASP 314 Cb -0.15 -1.96 0.96 0.00 -0.30 0.00 0.00 42.92 41.47 2pvx s ASP 314 CO 0.07 -0.15 1.89 -0.33 -0.17 0.00 0.00 175.17 176.49 2pvx h GLU 315 N 8.29 0.51 0.00 4.34 5.08 -1.40 0.35 114.58 131.75 2pvx h GLU 315 Ca -0.34 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2pvx h GLU 315 Cb 1.15 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2pvx h GLU 315 CO 0.60 0.34 -0.12 -0.44 -1.00 0.00 0.00 179.01 178.40 2pvx h ASP 316 N 0.53 0.00 0.77 1.42 3.32 -1.87 0.14 116.42 120.72 2pvx h ASP 316 Ca 0.41 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.29 2pvx h ASP 316 Cb 0.84 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2pvx h ASP 316 CO -0.16 0.12 -1.34 0.00 -1.72 0.00 0.00 179.24 176.13 2pvx h ALA 317 N 1.88 0.66 -0.92 3.45 0.00 -1.32 -3.25 119.26 119.77 2pvx h ALA 317 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2pvx h ALA 317 Cb 0.24 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2pvx h ALA 317 CO 0.01 0.97 0.00 0.41 0.00 0.00 0.00 179.25 180.64 2pvx n GLY 318 N 1.39 0.99 2.44 0.00 0.00 -0.82 -3.81 105.19 105.38 2pvx n GLY 318 Ca -0.09 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 2pvx n GLY 318 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvx n ASP 319 N -3.08 -1.17 0.20 1.61 2.03 0.07 -4.78 116.55 111.43 2pvx n ASP 319 Ca 0.00 -2.80 0.07 0.00 0.52 0.00 0.00 54.79 52.58 2pvx n ASP 319 Cb 0.00 0.27 0.57 0.00 -0.72 0.00 0.00 41.12 41.24 2pvx n ASP 319 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pvx h PRO 320 N 4.47 0.12 -0.03 -0.67 0.11 -1.73 -0.24 132.00 134.05 2pvx h PRO 320 Ca 0.06 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.17 2pvx h PRO 320 Cb 0.95 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2pvx h PRO 320 CO 0.35 0.11 0.43 0.22 -0.21 0.00 0.00 178.00 178.90 2pvx h ASP 321 N 0.12 0.00 -0.01 -2.05 -0.00 -1.96 0.77 116.42 113.30 2pvx h ASP 321 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 57.01 2pvx h ASP 321 Cb 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 39.33 39.28 2pvx h ASP 321 CO -0.00 0.00 -0.63 0.59 -0.00 0.00 0.00 179.24 179.20 2pvx n ASN 322 N -2.88 1.58 -2.77 2.28 5.03 -0.19 -4.98 115.26 113.34 2pvx n ASN 322 Ca -0.01 -3.46 -0.19 0.00 0.87 0.00 0.00 54.58 51.79 2pvx n ASN 322 Cb 0.48 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 2pvx n ASN 322 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pvx n GLY 323 N -0.74 -0.50 3.46 7.41 0.00 0.27 -4.97 105.19 110.11 2pvx n GLY 323 Ca 0.16 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 2pvx n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvx s ILE 324 N -2.90 4.86 0.66 -0.61 -1.09 -0.68 -4.97 121.20 116.47 2pvx s ILE 324 Ca 0.16 -0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 58.05 2pvx s ILE 324 Cb -0.08 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.51 2pvx s ILE 324 CO 0.19 -0.78 1.07 -0.94 -1.23 0.00 0.00 174.94 173.26 2pvx s SER 325 N 2.58 5.42 0.35 3.58 1.04 -1.26 -0.75 113.70 124.66 2pvx s SER 325 Ca 0.16 1.77 -0.26 0.00 0.48 0.00 0.00 55.95 58.11 2pvx s SER 325 Cb -0.18 -2.52 -0.13 0.00 0.10 0.00 0.00 66.02 63.29 2pvx s SER 325 CO 0.13 -1.42 0.94 -2.65 0.98 0.00 0.00 173.24 171.22 2pvx n PRO 326 N -2.62 1.22 -0.67 4.02 -0.02 -1.25 -2.64 135.00 133.04 2pvx n PRO 326 Ca 0.09 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2pvx n PRO 326 Cb 0.53 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2pvx n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pvx n GLY 327 N 1.30 0.64 3.62 -1.23 0.00 0.45 -4.82 105.19 105.14 2pvx n GLY 327 Ca 0.10 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2pvx n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pvx s THR 328 N -2.00 4.72 0.52 2.61 2.01 -1.02 -4.92 115.64 117.56 2pvx s THR 328 Ca 0.00 1.32 -0.22 0.00 0.31 0.00 0.00 61.69 63.10 2pvx s THR 328 Cb 0.00 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 2pvx s THR 328 CO 0.00 -0.31 1.25 0.29 -0.69 0.00 0.00 174.62 175.16 2pvx n LYS 329 N 6.37 1.60 -0.29 4.92 5.02 -1.26 -4.55 118.16 129.97 2pvx n LYS 329 Ca 0.06 0.58 0.02 0.00 -2.02 0.00 0.00 58.31 56.96 2pvx n LYS 329 Cb 0.48 -2.43 0.16 0.00 -0.02 0.00 0.00 35.03 33.22 2pvx n LYS 329 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2pvx h PHE 330 N 1.43 0.86 0.00 2.13 3.04 -1.95 0.19 116.94 122.65 2pvx h PHE 330 Ca -0.49 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.48 2pvx h PHE 330 Cb 1.31 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.56 2pvx h PHE 330 CO 0.44 0.36 -0.04 0.93 -2.02 0.00 0.00 178.31 177.98 2pvx h GLU 331 N 0.80 0.00 -0.01 1.11 3.07 -2.02 -0.89 114.58 116.64 2pvx h GLU 331 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2pvx h GLU 331 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2pvx h GLU 331 CO -0.24 0.04 -0.01 0.39 -1.40 0.00 0.00 179.01 177.80 2pvx n GLU 332 N -3.83 1.54 -2.05 2.33 1.02 0.66 -4.85 120.64 115.46 2pvx n GLU 332 Ca -0.03 -0.82 -0.37 0.00 -0.02 0.00 0.00 57.16 55.93 2pvx n GLU 332 Cb 0.13 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2pvx n GLU 332 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pvx s LEU 333 N -2.02 3.87 0.47 -4.62 1.43 -0.34 -4.92 118.68 112.55 2pvx s LEU 333 Ca 0.39 2.47 -0.23 0.00 -1.03 0.00 0.00 54.13 55.73 2pvx s LEU 333 Cb 0.21 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 42.00 2pvx s LEU 333 CO 0.35 -1.29 1.04 -2.65 0.23 0.00 0.00 176.35 174.02 2pvx n PRO 334 N -0.95 1.33 0.06 1.29 -0.02 -1.26 -4.84 135.00 130.61 2pvx n PRO 334 Ca 0.10 0.48 0.19 0.00 -2.02 0.00 0.00 63.50 62.25 2pvx n PRO 334 Cb 0.48 -2.14 0.72 0.00 -0.02 0.00 0.00 33.50 32.54 2pvx n PRO 334 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pvx h ASP 335 N 1.34 0.00 -0.62 2.55 3.32 -1.93 -0.77 116.42 120.31 2pvx h ASP 335 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2pvx h ASP 335 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2pvx h ASP 335 CO 0.56 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.18 2pvx n ASP 336 N -4.18 4.71 -4.76 6.45 5.75 -1.26 -4.74 116.55 118.51 2pvx n ASP 336 Ca 0.08 -2.48 -0.39 0.00 -0.01 0.00 0.00 54.79 51.99 2pvx n ASP 336 Cb 0.54 -0.57 0.01 0.00 -1.03 0.00 0.00 41.12 40.07 2pvx n ASP 336 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2pvx s TRP 337 N -1.89 2.62 0.18 2.11 -0.00 -0.30 -5.01 118.94 116.64 2pvx s TRP 337 Ca 0.50 1.36 0.06 0.00 -0.00 0.00 0.00 56.10 58.03 2pvx s TRP 337 Cb 0.33 -3.75 -0.05 0.00 -0.00 0.00 0.00 33.47 30.00 2pvx s TRP 337 CO 0.23 -2.45 -0.13 0.14 -0.00 0.00 0.00 176.95 174.75 2pvx s VAL 338 N -1.27 1.51 0.16 5.86 -7.23 -1.26 -3.74 120.40 114.42 2pvx s VAL 338 Ca 0.61 -2.12 -0.33 0.00 -1.81 0.00 0.00 61.98 58.33 2pvx s VAL 338 Cb -0.40 -1.93 -0.13 0.00 0.56 0.00 0.00 36.38 34.48 2pvx s VAL 338 CO 0.50 -0.63 1.67 0.00 -0.31 0.00 0.00 175.10 176.33 2pvx h PRO 340 N 6.67 0.00 0.01 0.00 0.13 -1.96 -1.01 132.00 135.84 2pvx h PRO 340 Ca -0.45 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.30 2pvx h PRO 340 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2pvx h PRO 340 CO 0.92 0.00 -2.43 1.28 -0.23 0.00 0.00 178.00 177.55 2pvx n LEU 341 N -2.32 2.85 -0.00 1.56 4.77 -1.26 -4.73 117.00 117.86 2pvx n LEU 341 Ca 0.01 -0.10 0.02 0.00 -0.03 0.00 0.00 56.01 55.91 2pvx n LEU 341 Cb 0.21 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.39 2pvx n LEU 341 CO 0.19 0.92 -0.15 0.00 -1.33 0.00 0.00 177.39 177.02 2pvx n GLY 343 N 1.40 0.76 3.83 0.00 0.00 -0.38 -4.98 105.19 105.80 2pvx n GLY 343 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2pvx n GLY 343 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvx s VAL 344 N -2.82 3.80 0.87 1.61 0.11 -1.26 -4.50 120.40 118.20 2pvx s VAL 344 Ca 0.00 0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 59.55 2pvx s VAL 344 Cb 0.00 -3.39 0.18 0.00 -1.53 0.00 0.00 36.38 31.64 2pvx s VAL 344 CO 0.00 -0.76 1.19 -0.83 -3.33 0.00 0.00 175.10 171.36 2pvx s GLY 345 N -3.93 1.78 0.50 6.54 0.00 -1.26 -0.43 107.32 110.51 2pvx s GLY 345 Ca 0.58 -1.54 0.16 0.00 0.00 0.00 0.00 44.72 43.92 2pvx s GLY 345 CO 0.54 -0.83 2.10 0.50 0.00 0.00 0.00 173.10 175.42 2pvx h LYS 346 N -1.18 0.12 0.00 2.90 1.57 -1.85 -2.00 116.57 116.12 2pvx h LYS 346 Ca -0.40 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2pvx h LYS 346 Cb 1.24 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2pvx h LYS 346 CO 0.36 0.08 0.00 -0.44 -0.57 0.00 0.00 179.45 178.88 2pvx h ASP 347 N 0.12 0.00 -0.53 0.86 3.45 -1.94 -2.20 116.42 116.18 2pvx h ASP 347 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 2pvx h ASP 347 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 2pvx h ASP 347 CO -0.01 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.66 2pvx n GLN 348 N -2.98 2.31 -3.88 3.56 1.13 -0.75 -4.91 117.38 111.86 2pvx n GLN 348 Ca -0.03 -2.03 -0.35 0.00 -1.94 0.00 0.00 57.00 52.65 2pvx n GLN 348 Cb 0.07 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 28.91 2pvx n GLN 348 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2pvx s PHE 349 N -1.30 3.58 -0.07 1.08 0.40 -0.83 -1.41 117.98 119.43 2pvx s PHE 349 Ca 0.38 0.47 0.05 0.00 -0.60 0.00 0.00 56.93 57.23 2pvx s PHE 349 Cb 0.20 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 2pvx s PHE 349 CO 0.27 0.69 -0.24 -1.21 0.70 0.00 0.00 175.22 175.42 2pvx s GLU 350 N -1.48 2.67 0.27 0.44 0.41 -0.21 -4.92 118.70 115.88 2pvx s GLU 350 Ca 0.21 -0.89 -0.29 0.00 -0.41 0.00 0.00 54.97 53.59 2pvx s GLU 350 Cb -0.12 -2.18 -0.10 0.00 -1.78 0.00 0.00 34.13 29.95 2pvx s GLU 350 CO 0.11 0.32 1.29 0.21 -0.49 0.00 0.00 175.26 176.70 2pvx s LYS 351 N -0.01 4.40 0.41 1.61 2.20 -1.26 -0.52 119.74 126.57 2pvx s LYS 351 Ca -0.08 2.11 -0.25 0.00 -0.36 0.00 0.00 55.97 57.39 2pvx s LYS 351 Cb -0.15 -3.13 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 2pvx s LYS 351 CO 0.05 -0.17 1.20 -0.51 -0.36 0.00 0.00 175.35 175.56 2pvx s LEU 352 N -1.09 4.18 -0.07 5.43 1.02 0.02 -4.89 118.68 123.27 2pvx s LEU 352 Ca 0.52 2.41 0.01 0.00 0.02 0.00 0.00 54.13 57.09 2pvx s LEU 352 Cb -0.38 -4.02 0.02 0.00 0.02 0.00 0.00 46.19 41.83 2pvx s LEU 352 CO 0.46 -0.75 -0.09 -1.83 0.02 0.00 0.00 176.35 174.16 2pvx s GLU 353 N -2.33 1.46 0.00 1.70 -1.05 -1.26 -4.88 118.70 112.34 2pvx s GLU 353 Ca 0.58 -0.30 0.30 0.00 -0.15 0.00 0.00 54.97 55.40 2pvx s GLU 353 Cb -0.32 -1.34 1.77 0.00 -0.44 0.00 0.00 34.13 33.80 2pvx s GLU 353 CO 0.40 -0.08 2.10 -3.47 0.95 0.00 0.00 175.26 175.16