#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwh s SER 263 N 0.00 2.22 0.06 4.38 0.15 -1.26 -4.82 113.70 114.43 3jwh s SER 263 Ca 0.00 0.88 -0.22 0.00 0.70 0.00 0.00 55.95 57.31 3jwh s SER 263 Cb 0.00 -1.35 -0.13 0.00 -1.71 0.00 0.00 66.02 62.83 3jwh s SER 263 CO 0.00 -3.34 1.53 0.25 1.20 0.00 0.00 173.24 172.88 3jwh h LEU 264 N -2.04 0.17 -0.70 3.45 5.85 -2.02 -0.72 115.31 119.29 3jwh h LEU 264 Ca -0.50 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3jwh h LEU 264 Cb 1.31 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3jwh h LEU 264 CO 0.50 0.38 0.46 0.78 -0.34 0.00 0.00 178.44 180.21 3jwh h ASN 265 N -0.04 0.82 0.30 1.25 2.35 -1.99 -0.02 115.58 118.25 3jwh h ASN 265 Ca 0.03 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3jwh h ASN 265 Cb 0.28 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3jwh h ASN 265 CO 0.00 0.60 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.53 3jwh h GLN 266 N 0.96 0.00 -0.25 0.81 5.75 -1.91 -0.31 115.11 120.15 3jwh h GLN 266 Ca 0.26 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.58 3jwh h GLN 266 Cb -0.10 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.45 3jwh h GLN 266 CO -0.05 0.24 -0.54 1.96 -2.65 0.00 0.00 178.83 177.79 3jwh h GLN 267 N 0.00 0.75 0.17 1.69 4.20 0.48 -1.96 115.11 120.44 3jwh h GLN 267 Ca -0.00 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 3jwh h GLN 267 Cb 0.46 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3jwh h GLN 267 CO 0.03 1.09 -0.08 -0.09 -0.67 0.00 0.00 178.83 179.12 3jwh h ARG 268 N 0.58 -0.21 -0.51 1.46 2.43 -0.19 -1.41 114.38 116.53 3jwh h ARG 268 Ca 0.02 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3jwh h ARG 268 Cb 1.12 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 3jwh h ARG 268 CO 0.11 0.06 0.20 1.98 -1.51 0.00 0.00 179.97 180.81 3jwh h MET 269 N -0.48 0.38 -0.99 0.20 4.05 -1.10 0.08 114.93 117.07 3jwh h MET 269 Ca -0.02 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3jwh h MET 269 Cb 0.37 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.04 3jwh h MET 269 CO 0.04 0.25 0.65 -0.91 0.23 0.00 0.00 176.91 177.17 3jwh h ASN 270 N 0.39 1.15 -0.61 1.39 2.35 -1.32 0.54 115.58 119.48 3jwh h ASN 270 Ca 0.24 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 3jwh h ASN 270 Cb 0.25 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3jwh h ASN 270 CO -0.23 0.84 0.18 1.23 -1.65 0.00 0.00 177.43 177.79 3jwh h GLY 271 N 1.35 1.06 0.57 2.83 0.00 -0.06 -0.56 103.07 108.26 3jwh h GLY 271 Ca 0.36 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3jwh h GLY 271 CO -0.08 0.58 -0.19 -2.08 0.00 0.00 0.00 176.54 174.78 3jwh h VAL 272 N 0.95 1.45 -0.94 4.60 2.07 -0.34 -2.35 116.25 121.69 3jwh h VAL 272 Ca 0.21 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 66.15 3jwh h VAL 272 Cb 0.30 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 3jwh h VAL 272 CO -0.00 0.45 0.61 0.58 0.02 0.00 0.00 177.57 179.23 3jwh h VAL 273 N -0.32 1.18 -0.55 2.57 2.07 -0.86 -0.85 116.25 119.49 3jwh h VAL 273 Ca -0.01 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3jwh h VAL 273 Cb 0.82 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3jwh h VAL 273 CO 0.04 0.22 0.28 0.00 0.02 0.00 0.00 177.57 178.13 3jwh h ALA 274 N 1.37 0.71 -0.61 1.67 0.00 -1.11 -1.54 119.26 119.76 3jwh h ALA 274 Ca 0.37 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3jwh h ALA 274 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3jwh h ALA 274 CO -0.11 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.44 3jwh h ALA 275 N 1.11 0.82 -0.30 0.00 0.00 -0.81 -2.32 119.26 117.76 3jwh h ALA 275 Ca 0.19 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3jwh h ALA 275 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3jwh h ALA 275 CO -0.03 0.62 0.16 -0.07 0.00 0.00 0.00 179.25 179.93 3jwh h LEU 276 N 0.95 0.24 -0.67 0.00 3.38 -0.92 -2.84 115.31 115.45 3jwh h LEU 276 Ca 0.18 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3jwh h LEU 276 Cb 0.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3jwh h LEU 276 CO 0.02 0.18 0.35 0.11 0.09 0.00 0.00 178.44 179.19 3jwh h LYS 277 N 0.33 0.95 0.00 1.13 1.57 -1.15 -0.72 116.57 118.67 3jwh h LYS 277 Ca 0.12 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3jwh h LYS 277 Cb 0.03 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3jwh h LYS 277 CO -0.08 0.73 -0.12 1.96 -0.57 0.00 0.00 179.45 181.37 3jwh h GLN 278 N 0.93 0.00 -0.02 3.15 4.20 -1.27 0.54 115.11 122.64 3jwh h GLN 278 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3jwh h GLN 278 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3jwh h GLN 278 CO -0.04 0.12 -0.03 0.43 -0.67 0.00 0.00 178.83 178.64 3jwh n SER 279 N -4.00 1.87 -3.75 1.46 7.64 -0.96 -4.95 113.62 110.93 3jwh n SER 279 Ca -0.02 -1.59 -0.24 0.00 1.01 0.00 0.00 58.87 58.03 3jwh n SER 279 Cb 0.20 0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.46 3jwh n SER 279 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3jwh n ASN 280 N 0.42 -2.79 -4.44 6.43 5.15 0.18 -4.90 115.26 115.31 3jwh n ASN 280 Ca 0.17 -0.78 -0.44 0.00 -0.60 0.00 0.00 54.58 52.94 3jwh n ASN 280 Cb 0.42 -4.13 -0.04 0.00 -0.53 0.00 0.00 39.78 35.51 3jwh n ASN 280 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jwh s ALA 281 N -3.51 3.26 0.01 5.20 0.00 -0.37 -4.88 121.76 121.48 3jwh s ALA 281 Ca 0.26 -2.22 0.01 0.00 0.00 0.00 0.00 51.96 50.02 3jwh s ALA 281 Cb -0.13 -3.85 -0.26 0.00 0.00 0.00 0.00 23.12 18.88 3jwh s ALA 281 CO 0.81 -2.75 0.86 0.00 0.00 0.00 0.00 175.76 174.67 3jwh h ARG 282 N 9.25 0.17 -4.50 0.00 2.47 -1.87 -3.44 114.38 116.45 3jwh h ARG 282 Ca -0.15 -0.28 -0.72 0.00 -1.26 0.00 0.00 59.98 57.57 3jwh h ARG 282 Cb 1.06 0.11 -0.22 0.00 -1.65 0.00 0.00 29.97 29.27 3jwh h ARG 282 CO 1.14 0.98 -0.44 1.03 0.56 0.00 0.00 179.97 183.25 3jwh s ARG 283 N -2.62 2.94 -0.00 0.04 1.81 -1.26 -0.85 118.95 119.00 3jwh s ARG 283 Ca -0.07 -1.05 0.07 0.00 -1.72 0.00 0.00 55.73 52.96 3jwh s ARG 283 Cb 0.07 -3.95 -0.02 0.00 -0.45 0.00 0.00 34.95 30.61 3jwh s ARG 283 CO 0.84 -0.76 -0.23 0.08 -0.68 0.00 0.00 175.30 174.55 3jwh s VAL 284 N 1.65 1.81 -0.16 3.52 1.01 0.25 -0.96 120.40 127.52 3jwh s VAL 284 Ca 0.04 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3jwh s VAL 284 Cb -0.19 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3jwh s VAL 284 CO 0.09 0.44 -0.20 -0.51 0.00 0.00 0.00 175.10 174.92 3jwh s ILE 285 N -0.60 2.00 -0.48 2.22 2.07 -0.60 -0.86 121.20 124.95 3jwh s ILE 285 Ca 0.09 -0.92 -0.17 0.00 -1.41 0.00 0.00 60.65 58.24 3jwh s ILE 285 Cb -0.09 -1.79 0.06 0.00 0.13 0.00 0.00 42.46 40.77 3jwh s ILE 285 CO -0.00 0.53 0.47 -0.62 -1.91 0.00 0.00 174.94 173.41 3jwh s ASP 286 N 1.07 6.17 -0.30 4.50 2.15 0.20 -1.50 116.67 128.95 3jwh s ASP 286 Ca -0.01 -1.15 -0.25 0.00 0.43 0.00 0.00 52.55 51.57 3jwh s ASP 286 Cb -0.14 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 3jwh s ASP 286 CO -0.07 -0.71 0.86 -0.76 -0.17 0.00 0.00 175.17 174.31 3jwh s LEU 287 N 1.98 4.06 0.00 -1.34 1.43 -0.46 -0.76 118.68 123.59 3jwh s LEU 287 Ca 0.08 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3jwh s LEU 287 Cb -0.22 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3jwh s LEU 287 CO 0.09 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.61 3jwh n GLY 288 N 4.08 0.51 0.22 -3.19 0.00 0.23 -4.44 105.19 102.59 3jwh n GLY 288 Ca 0.06 -0.45 0.16 0.00 0.00 0.00 0.00 46.02 45.79 3jwh n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwh n GLY 290 N -0.55 2.77 0.00 0.00 0.00 -1.26 -1.88 105.19 104.26 3jwh n GLY 290 Ca -0.00 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3jwh n GLY 290 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jwh n GLN 291 N 14.00 0.50 -1.14 1.61 6.02 -1.26 -4.38 117.38 132.72 3jwh n GLN 291 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3jwh n GLN 291 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 3jwh n GLN 291 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jwh n GLY 292 N 0.18 0.77 0.21 1.08 0.00 -0.79 -3.55 105.19 103.09 3jwh n GLY 292 Ca 0.13 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 3jwh n GLY 292 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3jwh h ASN 293 N 0.00 -0.43 -0.09 1.61 2.35 -1.90 0.21 115.58 117.33 3jwh h ASN 293 Ca 0.00 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 3jwh h ASN 293 Cb 0.45 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3jwh h ASN 293 CO 0.00 -0.25 -0.35 0.25 -1.65 0.00 0.00 177.43 175.43 3jwh h LEU 294 N -0.38 0.62 -1.26 1.61 5.85 -1.94 -2.94 115.31 116.87 3jwh h LEU 294 Ca -0.01 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3jwh h LEU 294 Cb 0.34 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3jwh h LEU 294 CO -0.02 0.91 0.40 -0.07 -0.34 0.00 0.00 178.44 179.32 3jwh h LEU 295 N 0.50 0.80 -0.41 2.25 3.38 -1.78 -1.63 115.31 118.43 3jwh h LEU 295 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3jwh h LEU 295 Cb 0.84 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3jwh h LEU 295 CO 0.07 0.62 0.20 0.50 0.09 0.00 0.00 178.44 179.91 3jwh h LYS 296 N 0.92 0.59 -0.57 1.13 3.64 -0.43 -1.74 116.57 120.11 3jwh h LYS 296 Ca 0.24 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3jwh h LYS 296 Cb -0.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3jwh h LYS 296 CO -0.04 0.51 0.04 0.82 -2.27 0.00 0.00 179.45 178.51 3jwh h ILE 297 N 0.52 1.25 -0.23 2.00 2.04 -1.38 -2.69 117.51 119.02 3jwh h ILE 297 Ca 0.14 -1.04 -0.16 0.00 1.00 0.00 0.00 64.86 64.80 3jwh h ILE 297 Cb 0.12 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3jwh h ILE 297 CO -0.02 0.38 -0.47 -0.07 0.00 0.00 0.00 178.15 177.96 3jwh h LEU 298 N 0.89 0.82 -0.93 1.44 3.38 -1.17 -2.98 115.31 116.76 3jwh h LEU 298 Ca 0.17 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 3jwh h LEU 298 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3jwh h LEU 298 CO 0.02 1.22 0.29 0.25 0.09 0.00 0.00 178.44 180.30 3jwh h LEU 299 N 0.46 0.97 -1.18 1.67 6.46 -1.30 -2.40 115.31 120.00 3jwh h LEU 299 Ca 0.01 -0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.54 3jwh h LEU 299 Cb 1.08 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 3jwh h LEU 299 CO 0.11 0.87 -0.38 0.11 -0.62 0.00 0.00 178.44 178.52 3jwh h LYS 300 N 1.04 0.00 -5.29 1.25 1.57 -1.51 -3.41 116.57 110.22 3jwh h LYS 300 Ca 0.24 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.36 3jwh h LYS 300 Cb 0.20 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.35 3jwh h LYS 300 CO -0.02 0.38 0.16 0.34 -0.57 0.00 0.00 179.45 179.75 3jwh s ASP 301 N -6.71 6.28 0.00 0.86 -1.08 -0.90 -4.94 116.67 110.18 3jwh s ASP 301 Ca -0.02 -0.59 0.02 0.00 -0.52 0.00 0.00 52.55 51.44 3jwh s ASP 301 Cb 0.13 -2.33 0.08 0.00 -1.46 0.00 0.00 42.92 39.35 3jwh s ASP 301 CO 0.71 -0.90 0.73 -1.54 0.52 0.00 0.00 175.17 174.69 3jwh n SER 302 N 6.42 0.00 -0.15 -0.34 3.41 -1.26 -2.33 113.62 119.37 3jwh n SER 302 Ca -0.03 0.12 -0.06 0.00 -0.26 0.00 0.00 58.87 58.64 3jwh n SER 302 Cb 0.47 -0.16 0.11 0.00 -0.26 0.00 0.00 64.21 64.36 3jwh n SER 302 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3jwh h PHE 303 N 0.00 0.98 -3.38 7.33 3.57 -1.92 -3.42 116.94 120.09 3jwh h PHE 303 Ca 0.00 -0.15 -0.54 0.00 3.53 0.00 0.00 57.97 60.81 3jwh h PHE 303 Cb 0.01 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3jwh h PHE 303 CO 0.00 0.88 0.41 -0.06 -2.23 0.00 0.00 178.31 177.31 3jwh s PHE 304 N -4.99 3.63 -0.95 0.41 0.08 -0.99 -4.81 117.98 110.36 3jwh s PHE 304 Ca -0.10 1.63 0.22 0.00 0.12 0.00 0.00 56.93 58.80 3jwh s PHE 304 Cb 0.14 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.39 3jwh s PHE 304 CO 0.83 -0.24 1.02 0.39 -0.10 0.00 0.00 175.22 177.12 3jwh n GLU 305 N 3.79 0.04 -3.63 0.44 1.02 -0.03 -4.91 120.64 117.35 3jwh n GLU 305 Ca 0.06 -0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.16 3jwh n GLU 305 Cb 0.50 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 3jwh n GLU 305 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3jwh s GLN 306 N -3.03 0.53 -0.17 3.49 0.74 -1.15 -4.80 119.66 115.27 3jwh s GLN 306 Ca 0.08 0.95 0.01 0.00 0.05 0.00 0.00 55.36 56.45 3jwh s GLN 306 Cb 0.16 0.17 0.03 0.00 1.10 0.00 0.00 33.01 34.47 3jwh s GLN 306 CO 0.82 -0.12 -0.14 0.42 -0.55 0.00 0.00 175.29 175.72 3jwh s ILE 307 N 1.62 1.70 -0.08 -2.34 1.09 -0.13 -0.58 121.20 122.48 3jwh s ILE 307 Ca -0.09 -0.80 0.03 0.00 -1.10 0.00 0.00 60.65 58.68 3jwh s ILE 307 Cb -0.05 -1.63 0.01 0.00 -1.06 0.00 0.00 42.46 39.74 3jwh s ILE 307 CO -0.17 0.39 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.02 3jwh s THR 308 N 1.42 1.37 -0.10 2.92 2.01 -0.03 -1.68 115.64 121.54 3jwh s THR 308 Ca 0.03 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.43 3jwh s THR 308 Cb -0.14 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 3jwh s THR 308 CO -0.10 0.41 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.27 3jwh s GLY 309 N 0.61 1.54 -0.06 4.40 0.00 -0.39 0.59 107.32 114.01 3jwh s GLY 309 Ca -0.15 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 43.70 3jwh s GLY 309 CO 0.05 -0.39 -0.22 0.14 0.00 0.00 0.00 173.10 172.68 3jwh s VAL 310 N -0.03 1.81 -0.06 1.40 1.01 0.06 -1.37 120.40 123.22 3jwh s VAL 310 Ca -0.03 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 3jwh s VAL 310 Cb -0.14 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.74 3jwh s VAL 310 CO 0.04 0.51 0.49 -0.62 0.00 0.00 0.00 175.10 175.51 3jwh s ASP 311 N 0.07 -0.43 0.36 3.32 -1.08 -0.84 0.75 116.67 118.82 3jwh s ASP 311 Ca -0.08 0.49 0.24 0.00 -0.52 0.00 0.00 52.55 52.68 3jwh s ASP 311 Cb -0.14 0.52 0.44 0.00 -1.46 0.00 0.00 42.92 42.28 3jwh s ASP 311 CO 0.04 -0.46 1.61 1.62 0.52 0.00 0.00 175.17 178.50 3jwh h VAL 312 N 3.61 0.00 -3.40 1.11 3.04 -1.79 -1.48 116.25 117.34 3jwh h VAL 312 Ca -0.28 -0.86 -0.59 0.00 -1.01 0.00 0.00 66.70 63.95 3jwh h VAL 312 Cb 1.16 1.83 -0.09 0.00 -2.01 0.00 0.00 31.29 32.18 3jwh h VAL 312 CO 0.36 0.00 0.17 -0.55 -1.01 0.00 0.00 177.57 176.54 3jwh s SER 313 N -5.71 6.72 0.14 3.17 0.15 -1.26 -4.68 113.70 112.23 3jwh s SER 313 Ca 0.07 0.88 -0.11 0.00 0.70 0.00 0.00 55.95 57.49 3jwh s SER 313 Cb 0.07 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 3jwh s SER 313 CO 0.66 -0.31 1.48 1.88 1.20 0.00 0.00 173.24 178.15 3jwh h TYR 314 N 7.50 1.14 -0.19 3.44 0.05 -1.99 -2.40 116.97 124.51 3jwh h TYR 314 Ca -0.30 -0.34 0.02 0.00 0.05 0.00 0.00 58.73 58.16 3jwh h TYR 314 Cb 1.14 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.61 3jwh h TYR 314 CO 0.72 1.17 0.04 -0.09 -1.05 0.00 0.00 178.16 178.95 3jwh h ARG 315 N 0.78 0.11 -0.72 4.88 9.65 -2.00 -0.85 114.38 126.23 3jwh h ARG 315 Ca 0.07 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3jwh h ARG 315 Cb 0.97 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.49 3jwh h ARG 315 CO 0.09 0.07 0.24 0.77 2.80 0.00 0.00 179.97 183.95 3jwh h SER 316 N 0.12 1.03 -0.16 -3.80 0.02 -1.88 -2.19 113.55 106.68 3jwh h SER 316 Ca 0.09 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 3jwh h SER 316 Cb 0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3jwh h SER 316 CO -0.11 0.95 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.18 3jwh h LEU 317 N 1.07 0.64 -0.48 5.07 4.07 -1.09 -0.19 115.31 124.40 3jwh h LEU 317 Ca 0.24 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3jwh h LEU 317 Cb 0.28 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3jwh h LEU 317 CO -0.01 0.89 0.02 -0.33 -1.08 0.00 0.00 178.44 177.93 3jwh h GLU 318 N 0.55 0.84 -0.47 1.13 4.39 -0.91 -1.74 114.58 118.37 3jwh h GLU 318 Ca 0.07 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 3jwh h GLU 318 Cb 0.75 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3jwh h GLU 318 CO 0.06 0.87 0.19 0.82 -1.16 0.00 0.00 179.01 179.79 3jwh h ILE 319 N 0.70 1.21 -0.32 3.13 2.04 -1.20 -1.28 117.51 121.79 3jwh h ILE 319 Ca 0.14 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.41 3jwh h ILE 319 Cb 0.48 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3jwh h ILE 319 CO 0.02 0.24 -0.04 0.00 0.00 0.00 0.00 178.15 178.37 3jwh h ALA 320 N 1.03 0.25 -0.78 1.87 0.00 -0.77 -0.40 119.26 120.47 3jwh h ALA 320 Ca 0.16 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3jwh h ALA 320 Cb 0.20 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3jwh h ALA 320 CO -0.01 -0.43 0.51 0.37 0.00 0.00 0.00 179.25 179.69 3jwh h GLN 321 N 0.05 0.97 0.64 0.00 5.75 -1.10 -0.65 115.11 120.76 3jwh h GLN 321 Ca 0.16 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3jwh h GLN 321 Cb 0.23 -0.22 0.01 0.00 1.07 0.00 0.00 27.48 28.56 3jwh h GLN 321 CO -0.30 0.64 -0.31 1.49 -2.65 0.00 0.00 178.83 177.71 3jwh h GLU 322 N 0.99 -0.82 0.00 1.69 4.81 0.10 -2.00 114.58 119.35 3jwh h GLU 322 Ca 0.30 0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.46 3jwh h GLU 322 Cb -0.03 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3jwh h GLU 322 CO -0.08 -0.54 -0.59 0.07 -0.73 0.00 0.00 179.01 177.15 3jwh h ARG 323 N -0.89 0.00 0.00 1.92 0.11 -1.18 -2.37 114.38 111.97 3jwh h ARG 323 Ca -0.09 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.98 3jwh h ARG 323 Cb 0.67 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.74 3jwh h ARG 323 CO 0.14 0.59 -0.08 -0.07 0.10 0.00 0.00 179.97 180.65 3jwh h LEU 324 N 0.00 0.00 -0.03 0.08 3.38 -1.03 0.39 115.31 118.10 3jwh h LEU 324 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3jwh h LEU 324 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3jwh h LEU 324 CO 0.08 0.08 -0.04 0.47 0.09 0.00 0.00 178.44 179.12 3jwh n ASP 325 N -3.73 0.08 0.00 -0.43 8.00 -0.76 -2.79 116.55 116.92 3jwh n ASP 325 Ca -0.02 0.02 0.15 0.00 0.71 0.00 0.00 54.79 55.65 3jwh n ASP 325 Cb 0.19 -0.31 0.81 0.00 -0.02 0.00 0.00 41.12 41.79 3jwh n ASP 325 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jwh n ARG 326 N -1.33 0.63 -2.97 -1.24 1.74 0.13 -4.81 116.66 108.80 3jwh n ARG 326 Ca 0.11 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.88 3jwh n ARG 326 Cb 0.28 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.18 3jwh n ARG 326 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3jwh s LEU 327 N -2.36 3.93 -0.18 0.55 1.43 -1.12 -5.07 118.68 115.87 3jwh s LEU 327 Ca 0.35 1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 54.68 3jwh s LEU 327 Cb 0.20 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 42.36 3jwh s LEU 327 CO 0.42 -0.31 -0.15 -0.13 0.23 0.00 0.00 176.35 176.40 3jwh s ARG 328 N -3.43 3.14 0.11 1.70 1.81 -1.26 -5.11 118.95 115.91 3jwh s ARG 328 Ca 0.53 -0.76 -0.08 0.00 -1.72 0.00 0.00 55.73 53.70 3jwh s ARG 328 Cb -0.10 -2.68 -0.01 0.00 -0.45 0.00 0.00 34.95 31.71 3jwh s ARG 328 CO 0.24 -0.14 0.19 -0.51 -0.68 0.00 0.00 175.30 174.40 3jwh s LEU 329 N 1.19 1.42 0.72 2.53 1.43 -1.26 -5.11 118.68 119.60 3jwh s LEU 329 Ca 0.02 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.21 3jwh s LEU 329 Cb -0.14 0.96 0.03 0.00 0.03 0.00 0.00 46.19 47.08 3jwh s LEU 329 CO -0.07 -0.76 1.15 -2.84 0.23 0.00 0.00 176.35 174.06 3jwh s PRO 330 N -3.90 2.32 0.11 1.29 0.02 -1.26 -4.91 135.00 128.67 3jwh s PRO 330 Ca 0.09 1.53 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 3jwh s PRO 330 Cb 0.05 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 3jwh s PRO 330 CO -0.07 -1.65 1.60 -0.09 -0.33 0.00 0.00 177.00 176.45 3jwh h ARG 331 N -0.39 -0.59 -0.27 5.54 2.43 -2.02 -1.72 114.38 117.34 3jwh h ARG 331 Ca -0.46 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 58.83 3jwh h ARG 331 Cb 1.27 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 3jwh h ARG 331 CO 0.51 -0.40 0.37 -2.95 -1.51 0.00 0.00 179.97 176.00 3jwh h ASN 332 N -0.62 0.00 0.70 -3.80 -1.07 -2.02 -1.35 115.58 107.43 3jwh h ASN 332 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.28 3jwh h ASN 332 Cb 0.65 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.88 3jwh h ASN 332 CO -0.24 0.00 -0.54 -0.61 0.07 0.00 0.00 177.43 176.11 3jwh h GLN 333 N 0.00 0.00 -0.02 4.14 5.75 -1.67 -3.18 115.11 120.13 3jwh h GLN 333 Ca 0.13 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.48 3jwh h GLN 333 Cb 0.87 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 3jwh h GLN 333 CO -0.00 0.54 -0.67 -1.49 -2.65 0.00 0.00 178.83 174.56 3jwh h TRP 334 N 0.00 0.13 0.00 3.99 4.06 -1.24 -3.12 115.95 119.77 3jwh h TRP 334 Ca -0.01 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.89 3jwh h TRP 334 Cb 1.04 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3jwh h TRP 334 CO 0.00 0.74 0.00 0.39 -3.56 0.00 0.00 178.44 176.01 3jwh n GLU 335 N -3.78 0.09 0.15 0.49 -0.58 -1.20 -2.20 120.64 113.61 3jwh n GLU 335 Ca -0.02 0.25 0.03 0.00 -0.42 0.00 0.00 57.16 57.00 3jwh n GLU 335 Cb 0.66 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 30.07 3jwh n GLU 335 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jwh h ARG 336 N 0.00 0.00 -6.74 3.49 3.08 -1.71 -3.47 114.38 109.04 3jwh h ARG 336 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3jwh h ARG 336 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3jwh h ARG 336 CO 0.00 0.47 0.19 -1.17 -1.07 0.00 0.00 179.97 178.39 3jwh s LEU 337 N -6.46 4.23 -0.22 3.04 2.96 -0.93 -0.95 118.68 120.34 3jwh s LEU 337 Ca 0.04 1.51 -0.13 0.00 -0.22 0.00 0.00 54.13 55.34 3jwh s LEU 337 Cb 0.07 -3.91 0.07 0.00 0.50 0.00 0.00 46.19 42.92 3jwh s LEU 337 CO 0.74 -0.09 0.54 -1.58 -1.32 0.00 0.00 176.35 174.63 3jwh s GLN 338 N -2.37 0.54 -0.13 1.98 0.74 -0.68 -4.97 119.66 114.78 3jwh s GLN 338 Ca 0.49 0.97 0.00 0.00 0.05 0.00 0.00 55.36 56.88 3jwh s GLN 338 Cb -0.15 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.02 3jwh s GLN 338 CO 0.20 -0.15 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.13 3jwh s LEU 339 N 1.43 2.60 -0.05 3.68 1.02 -1.26 -1.26 118.68 124.83 3jwh s LEU 339 Ca -0.09 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 53.70 3jwh s LEU 339 Cb -0.07 -1.58 0.02 0.00 0.02 0.00 0.00 46.19 44.58 3jwh s LEU 339 CO -0.15 0.15 -0.09 -0.63 0.02 0.00 0.00 176.35 175.65 3jwh s ILE 340 N 0.43 0.86 -0.03 -0.59 1.01 -0.47 -4.99 121.20 117.42 3jwh s ILE 340 Ca -0.11 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 3jwh s ILE 340 Cb -0.16 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 3jwh s ILE 340 CO 0.05 0.29 0.55 -1.58 0.00 0.00 0.00 174.94 174.25 3jwh s GLN 341 N 0.70 4.27 0.00 2.79 -0.44 -1.26 -1.99 119.66 123.73 3jwh s GLN 341 Ca -0.12 0.63 0.00 0.00 -2.50 0.00 0.00 55.36 53.37 3jwh s GLN 341 Cb -0.15 -3.35 0.00 0.00 -1.64 0.00 0.00 33.01 27.88 3jwh s GLN 341 CO 0.02 0.36 0.00 0.41 0.50 0.00 0.00 175.29 176.58 3jwh n GLY 342 N 2.55 1.86 3.82 2.59 0.00 -0.55 -4.91 105.19 110.55 3jwh n GLY 342 Ca -0.08 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 3jwh n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwh s ALA 343 N -2.00 3.17 -0.85 4.61 0.00 -1.26 -2.43 121.76 123.00 3jwh s ALA 343 Ca 0.00 0.29 0.27 0.00 0.00 0.00 0.00 51.96 52.53 3jwh s ALA 343 Cb 0.00 -3.02 0.99 0.00 0.00 0.00 0.00 23.12 21.09 3jwh s ALA 343 CO 0.00 0.21 1.84 1.28 0.00 0.00 0.00 175.76 179.09 3jwh n LEU 344 N -0.31 0.47 -0.49 0.00 4.77 -1.26 -3.33 117.00 116.85 3jwh n LEU 344 Ca 0.05 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 3jwh n LEU 344 Cb 0.53 -0.39 0.49 0.00 -2.33 0.00 0.00 43.42 41.71 3jwh n LEU 344 CO 0.40 -0.10 0.84 0.35 -1.33 0.00 0.00 177.39 177.55 3jwh n THR 345 N -1.94 0.07 -4.46 -5.08 -2.24 -1.26 -4.54 114.28 94.83 3jwh n THR 345 Ca 0.06 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 3jwh n THR 345 Cb 0.39 0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 68.95 3jwh n THR 345 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3jwh s TYR 346 N -1.93 3.04 -0.93 4.78 5.04 -1.21 -4.71 117.35 121.42 3jwh s TYR 346 Ca 0.36 -0.02 -0.24 0.00 -2.44 0.00 0.00 57.07 54.73 3jwh s TYR 346 Cb 0.20 -1.82 -0.02 0.00 0.35 0.00 0.00 41.96 40.67 3jwh s TYR 346 CO 0.31 0.26 1.79 -0.65 -1.34 0.00 0.00 175.55 175.92 3jwh s GLN 347 N -0.45 2.87 -0.19 4.97 -0.21 -1.26 -4.95 119.66 120.45 3jwh s GLN 347 Ca 0.07 -0.53 -0.18 0.00 0.02 0.00 0.00 55.36 54.75 3jwh s GLN 347 Cb -0.12 -5.14 -0.04 0.00 1.00 0.00 0.00 33.01 28.72 3jwh s GLN 347 CO 0.02 -3.01 0.48 0.34 -2.12 0.00 0.00 175.29 171.00 3jwh s ASP 348 N 7.09 6.55 0.43 5.90 -1.08 -1.26 -4.95 116.67 129.34 3jwh s ASP 348 Ca 0.63 0.66 0.29 0.00 -0.52 0.00 0.00 52.55 53.61 3jwh s ASP 348 Cb -0.05 -2.28 1.49 0.00 -1.46 0.00 0.00 42.92 40.63 3jwh s ASP 348 CO -0.03 -0.12 1.89 0.11 0.52 0.00 0.00 175.17 177.54 3jwh h LYS 349 N 7.30 0.00 0.00 4.34 1.79 -2.01 -1.00 116.57 126.99 3jwh h LYS 349 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 3jwh h LYS 349 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3jwh h LYS 349 CO 0.74 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.65 3jwh n ARG 350 N -2.56 0.61 0.00 3.15 1.74 -1.26 -3.12 116.66 115.23 3jwh n ARG 350 Ca -0.01 0.01 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 3jwh n ARG 350 Cb 0.11 -1.50 0.52 0.00 -1.02 0.00 0.00 32.46 30.57 3jwh n ARG 350 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3jwh n PHE 351 N -1.16 0.00 -2.58 -1.55 3.72 -0.38 -4.95 117.46 110.56 3jwh n PHE 351 Ca 0.17 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.30 3jwh n PHE 351 Cb 0.17 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 3jwh n PHE 351 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3jwh s HIS 352 N -2.13 3.49 0.00 1.38 3.76 -1.18 -4.53 115.29 116.08 3jwh s HIS 352 Ca 0.35 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 56.03 3jwh s HIS 352 Cb 0.21 -2.40 0.00 0.00 1.11 0.00 0.00 32.58 31.50 3jwh s HIS 352 CO 0.38 -0.40 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 3jwh n GLY 353 N -2.33 0.48 3.89 -2.22 0.00 -1.26 -5.04 105.19 98.70 3jwh n GLY 353 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3jwh n GLY 353 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jwh s TYR 354 N -2.12 3.46 0.17 1.61 2.02 -1.26 -5.00 117.35 116.22 3jwh s TYR 354 Ca 0.00 0.80 -0.05 0.00 -0.37 0.00 0.00 57.07 57.44 3jwh s TYR 354 Cb 0.00 -2.22 0.04 0.00 -0.40 0.00 0.00 41.96 39.37 3jwh s TYR 354 CO 0.00 0.13 1.45 -0.44 -1.57 0.00 0.00 175.55 175.12 3jwh h ASP 355 N 1.81 0.68 -5.03 2.29 3.32 -1.43 -3.38 116.42 114.68 3jwh h ASP 355 Ca -0.47 -0.39 -0.10 0.00 0.02 0.00 0.00 57.03 56.08 3jwh h ASP 355 Cb 1.18 -0.20 -0.18 0.00 0.22 0.00 0.00 39.33 40.36 3jwh h ASP 355 CO 0.66 1.14 -0.28 0.00 -1.72 0.00 0.00 179.24 179.04 3jwh s ALA 356 N -3.89 -0.67 -0.05 3.45 0.00 -1.03 -1.72 121.76 117.85 3jwh s ALA 356 Ca -0.08 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.02 3jwh s ALA 356 Cb 0.11 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3jwh s ALA 356 CO 0.86 -0.35 -0.23 0.00 0.00 0.00 0.00 175.76 176.03 3jwh s ALA 357 N -2.12 2.00 -0.06 0.00 0.00 -0.55 -1.56 121.76 119.47 3jwh s ALA 357 Ca -0.08 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.95 3jwh s ALA 357 Cb -0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 3jwh s ALA 357 CO -0.01 0.40 -0.18 0.95 0.00 0.00 0.00 175.76 176.92 3jwh s THR 358 N -0.17 2.74 -0.44 0.00 -4.23 -0.57 -1.06 115.64 111.91 3jwh s THR 358 Ca -0.02 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3jwh s THR 358 Cb -0.13 -2.06 0.13 0.00 1.34 0.00 0.00 72.50 71.79 3jwh s THR 358 CO 0.03 0.58 0.24 -0.69 -0.54 0.00 0.00 174.62 174.23 3jwh s VAL 359 N -0.46 1.49 -0.35 2.29 1.01 0.13 -1.36 120.40 123.14 3jwh s VAL 359 Ca 0.06 -2.60 -0.14 0.00 0.00 0.00 0.00 61.98 59.30 3jwh s VAL 359 Cb -0.12 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3jwh s VAL 359 CO 0.02 -0.89 0.30 -0.63 0.00 0.00 0.00 175.10 173.90 3jwh s ILE 360 N 0.32 5.23 -1.34 2.22 -1.09 -1.26 -2.16 121.20 123.12 3jwh s ILE 360 Ca 0.17 -0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.41 3jwh s ILE 360 Cb -0.25 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.85 3jwh s ILE 360 CO 0.00 -0.09 0.68 -0.62 -1.23 0.00 0.00 174.94 173.68 3jwh n GLU 361 N 5.24 -4.69 -0.02 2.79 -0.58 -0.60 -4.90 120.64 117.86 3jwh n GLU 361 Ca -0.11 0.58 -0.04 0.00 -0.42 0.00 0.00 57.16 57.17 3jwh n GLU 361 Cb 0.49 -5.10 -0.02 0.00 -0.57 0.00 0.00 31.44 26.24 3jwh n GLU 361 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3jwh n VAL 362 N -4.33 0.27 -0.30 2.62 0.31 -1.26 -4.81 118.33 110.83 3jwh n VAL 362 Ca -0.27 -0.08 0.16 0.00 -0.01 0.00 0.00 64.34 64.13 3jwh n VAL 362 Cb 0.67 -1.18 0.42 0.00 -0.91 0.00 0.00 33.84 32.83 3jwh n VAL 362 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 3jwh h ILE 363 N -0.10 0.71 -0.02 2.52 3.07 -1.87 -1.69 117.51 120.13 3jwh h ILE 363 Ca -0.12 -0.20 0.01 0.00 1.55 0.00 0.00 64.86 66.10 3jwh h ILE 363 Cb 1.13 0.06 -0.00 0.00 -0.27 0.00 0.00 36.82 37.74 3jwh h ILE 363 CO -0.05 0.11 0.01 1.05 -1.05 0.00 0.00 178.15 178.22 3jwh h GLU 364 N 0.60 0.00 -0.75 0.16 9.09 -1.91 -2.12 114.58 119.65 3jwh h GLU 364 Ca 0.52 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.91 3jwh h GLU 364 Cb 1.01 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.10 3jwh h GLU 364 CO -0.26 0.00 0.02 0.72 0.05 0.00 0.00 179.01 179.54 3jwh n HIS 365 N -4.34 1.38 -4.96 2.06 8.25 -0.63 -4.86 115.22 112.11 3jwh n HIS 365 Ca -0.03 -0.52 -0.32 0.00 -0.26 0.00 0.00 57.72 56.59 3jwh n HIS 365 Cb 0.11 -0.39 -0.15 0.00 1.12 0.00 0.00 29.99 30.68 3jwh n HIS 365 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jwh s LEU 366 N -1.80 2.53 0.77 2.41 1.43 -0.80 -5.11 118.68 118.12 3jwh s LEU 366 Ca 0.35 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3jwh s LEU 366 Cb 0.27 -1.52 0.14 0.00 0.03 0.00 0.00 46.19 45.11 3jwh s LEU 366 CO 0.10 0.25 1.06 1.51 0.23 0.00 0.00 176.35 179.50 3jwh s ASP 367 N -0.18 4.10 0.21 2.29 1.47 -1.26 -4.76 116.67 118.54 3jwh s ASP 367 Ca -0.01 -0.29 -0.10 0.00 1.18 0.00 0.00 52.55 53.34 3jwh s ASP 367 Cb -0.13 -0.01 0.23 0.00 -0.34 0.00 0.00 42.92 42.66 3jwh s ASP 367 CO 0.03 -2.04 1.81 0.17 0.68 0.00 0.00 175.17 175.82 3jwh h LEU 368 N -0.74 0.55 -0.17 2.11 8.10 -2.00 0.45 115.31 123.62 3jwh h LEU 368 Ca -0.37 0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.64 3jwh h LEU 368 Cb 1.26 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.40 3jwh h LEU 368 CO 0.39 0.36 0.00 -1.54 -4.11 0.00 0.00 178.44 173.54 3jwh n SER 369 N -4.78 0.10 0.00 0.17 3.41 -1.26 -3.15 113.62 108.12 3jwh n SER 369 Ca 0.08 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3jwh n SER 369 Cb 0.16 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3jwh n SER 369 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jwh n ARG 370 N -0.38 1.09 0.06 4.33 1.74 -0.79 -4.79 116.66 117.92 3jwh n ARG 370 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3jwh n ARG 370 Cb 0.03 -0.58 -0.09 0.00 -1.02 0.00 0.00 32.46 30.80 3jwh n ARG 370 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3jwh h LEU 371 N 0.00 -0.12 -0.81 0.55 5.85 -0.88 -1.34 115.31 118.56 3jwh h LEU 371 Ca 0.00 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3jwh h LEU 371 Cb 0.14 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3jwh h LEU 371 CO 0.00 0.21 0.47 1.23 -0.34 0.00 0.00 178.44 180.02 3jwh h GLY 372 N -0.46 1.22 1.06 3.75 0.00 -1.82 -0.03 103.07 106.80 3jwh h GLY 372 Ca -0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3jwh h GLY 372 CO 0.02 0.18 -0.10 0.00 0.00 0.00 0.00 176.54 176.65 3jwh h ALA 373 N 1.42 0.70 -0.70 3.60 0.00 -1.83 -2.74 119.26 119.70 3jwh h ALA 373 Ca 0.37 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3jwh h ALA 373 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3jwh h ALA 373 CO -0.21 0.60 0.31 0.35 0.00 0.00 0.00 179.25 180.30 3jwh h PHE 374 N 0.83 1.01 -0.69 0.00 3.57 -0.56 -1.52 116.94 119.58 3jwh h PHE 374 Ca 0.13 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3jwh h PHE 374 Cb 0.66 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3jwh h PHE 374 CO 0.05 0.75 0.44 0.93 -2.23 0.00 0.00 178.31 178.25 3jwh h GLU 375 N 1.00 0.84 -0.06 1.11 5.08 -0.73 0.32 114.58 122.13 3jwh h GLU 375 Ca 0.24 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3jwh h GLU 375 Cb 0.14 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3jwh h GLU 375 CO -0.03 0.56 -0.05 0.00 -1.00 0.00 0.00 179.01 178.49 3jwh h ARG 376 N 0.87 0.14 -0.76 2.33 3.08 -1.25 0.23 114.38 119.02 3jwh h ARG 376 Ca 0.27 -0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.41 3jwh h ARG 376 Cb -0.01 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.94 3jwh h ARG 376 CO -0.09 0.57 0.26 0.28 -1.07 0.00 0.00 179.97 179.92 3jwh h VAL 377 N -0.28 0.58 0.00 2.04 2.07 -1.01 0.11 116.25 119.76 3jwh h VAL 377 Ca 0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3jwh h VAL 377 Cb 0.54 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3jwh h VAL 377 CO 0.01 0.07 -0.07 0.25 0.02 0.00 0.00 177.57 177.85 3jwh h LEU 378 N 0.37 0.00 -0.42 2.57 5.85 -0.84 -0.44 115.31 122.40 3jwh h LEU 378 Ca 0.43 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3jwh h LEU 378 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3jwh h LEU 378 CO -0.46 0.92 -0.26 0.49 -0.34 0.00 0.00 178.44 178.79 3jwh n PHE 379 N -4.64 0.00 0.05 1.25 3.72 0.81 -1.81 117.46 116.84 3jwh n PHE 379 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3jwh n PHE 379 Cb 0.39 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3jwh n PHE 379 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3jwh n GLU 380 N -0.76 0.00 0.00 -1.08 2.13 0.17 -4.57 120.64 116.53 3jwh n GLU 380 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3jwh n GLU 380 Cb 0.34 -0.49 0.00 0.00 0.27 0.00 0.00 31.44 31.56 3jwh n GLU 380 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3jwh n PHE 381 N -3.44 0.00 0.13 4.31 7.35 -0.05 -4.11 117.46 121.64 3jwh n PHE 381 Ca 0.00 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.55 3jwh n PHE 381 Cb 0.06 -0.43 -0.08 0.00 0.35 0.00 0.00 39.48 39.39 3jwh n PHE 381 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3jwh h ALA 382 N -2.00 -0.28 -6.22 3.13 0.00 -1.22 -3.48 119.26 109.19 3jwh h ALA 382 Ca 0.00 -0.13 -0.44 0.00 0.00 0.00 0.00 54.91 54.35 3jwh h ALA 382 Cb 0.00 0.11 0.05 0.00 0.00 0.00 0.00 17.79 17.95 3jwh h ALA 382 CO 0.00 -0.57 -0.90 0.94 0.00 0.00 0.00 179.25 178.72 3jwh n GLN 383 N -5.14 -2.73 -1.27 0.00 7.27 -0.75 -4.73 117.38 110.04 3jwh n GLN 383 Ca -0.09 0.50 -0.30 0.00 0.07 0.00 0.00 57.00 57.18 3jwh n GLN 383 Cb 0.19 -4.57 0.13 0.00 2.41 0.00 0.00 30.24 28.40 3jwh n GLN 383 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3jwh s PRO 384 N -6.05 1.42 0.20 3.69 0.04 -1.26 -4.93 135.00 128.10 3jwh s PRO 384 Ca 0.23 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 61.98 3jwh s PRO 384 Cb -0.08 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.77 3jwh s PRO 384 CO 0.85 -2.12 1.78 -0.22 0.04 0.00 0.00 177.00 177.33 3jwh h LYS 385 N -1.46 1.10 -6.43 4.56 3.64 -1.72 -3.42 116.57 112.83 3jwh h LYS 385 Ca -0.49 -0.18 -0.67 0.00 -1.27 0.00 0.00 60.65 58.04 3jwh h LYS 385 Cb 1.28 -0.19 -0.30 0.00 -0.41 0.00 0.00 32.23 32.62 3jwh h LYS 385 CO 0.55 0.88 -0.88 0.42 -2.27 0.00 0.00 179.45 178.15 3jwh s ILE 386 N -5.63 1.92 -0.07 2.00 -1.09 -0.70 -0.38 121.20 117.25 3jwh s ILE 386 Ca -0.13 -1.06 -0.01 0.00 -2.23 0.00 0.00 60.65 57.22 3jwh s ILE 386 Cb 0.15 -1.60 0.03 0.00 -1.58 0.00 0.00 42.46 39.46 3jwh s ILE 386 CO 0.82 0.53 0.00 -0.69 -1.23 0.00 0.00 174.94 174.37 3jwh s VAL 387 N -0.59 0.38 -0.20 2.92 1.01 -0.74 -1.49 120.40 121.69 3jwh s VAL 387 Ca 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 3jwh s VAL 387 Cb -0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 3jwh s VAL 387 CO -0.01 0.26 -0.04 -0.63 0.00 0.00 0.00 175.10 174.68 3jwh s ILE 388 N 1.97 3.51 -0.10 2.22 1.01 -0.22 -0.92 121.20 128.67 3jwh s ILE 388 Ca 0.05 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3jwh s ILE 388 Cb -0.12 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3jwh s ILE 388 CO -0.05 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.45 3jwh s VAL 389 N 1.17 1.69 0.05 2.92 1.01 -0.33 0.18 120.40 127.10 3jwh s VAL 389 Ca 0.02 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.28 3jwh s VAL 389 Cb -0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3jwh s VAL 389 CO -0.01 0.48 -0.19 0.42 0.00 0.00 0.00 175.10 175.80 3jwh s THR 390 N 0.65 1.51 0.05 3.92 -4.23 -0.92 0.40 115.64 117.03 3jwh s THR 390 Ca -0.13 -1.21 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 3jwh s THR 390 Cb -0.16 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.34 3jwh s THR 390 CO 0.04 0.09 0.24 0.28 -0.54 0.00 0.00 174.62 174.73 3jwh s THR 391 N -0.89 0.11 0.29 3.99 -1.32 -0.22 -1.56 115.64 116.03 3jwh s THR 391 Ca 0.05 -0.87 -0.29 0.00 -1.21 0.00 0.00 61.69 59.38 3jwh s THR 391 Cb -0.09 -1.01 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 3jwh s THR 391 CO 0.02 -0.48 1.17 -2.84 -2.21 0.00 0.00 174.62 170.28 3jwh s PRO 392 N -2.86 4.55 -0.80 7.08 0.02 -1.26 -1.26 135.00 140.48 3jwh s PRO 392 Ca -0.03 1.93 -0.23 0.00 0.02 0.00 0.00 61.00 62.69 3jwh s PRO 392 Cb 0.00 -3.16 0.07 0.00 0.02 0.00 0.00 34.50 31.43 3jwh s PRO 392 CO -0.05 0.08 1.17 1.21 -0.33 0.00 0.00 177.00 179.07 3jwh s ASN 393 N -0.69 6.31 0.00 2.53 3.84 -0.13 -3.63 114.94 123.16 3jwh s ASN 393 Ca 0.46 -1.12 0.03 0.00 0.21 0.00 0.00 52.86 52.44 3jwh s ASN 393 Cb -0.34 -2.48 0.12 0.00 -0.55 0.00 0.00 41.25 38.00 3jwh s ASN 393 CO 0.44 -1.49 0.98 0.00 -2.79 0.00 0.00 177.10 174.23 3jwh n ILE 394 N 6.15 1.39 1.10 -5.21 3.06 -0.27 -1.00 119.36 124.58 3jwh n ILE 394 Ca 0.10 0.35 0.13 0.00 -2.50 0.00 0.00 62.75 60.83 3jwh n ILE 394 Cb 0.48 -1.31 0.47 0.00 0.54 0.00 0.00 39.64 39.83 3jwh n ILE 394 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3jwh n GLU 395 N -1.38 0.19 -0.11 9.51 1.02 -1.26 -3.16 120.64 125.45 3jwh n GLU 395 Ca 0.01 -0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 56.94 3jwh n GLU 395 Cb 0.02 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 3jwh n GLU 395 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3jwh n TYR 396 N -1.35 0.00 0.28 -0.32 9.36 -0.17 -3.91 117.16 121.05 3jwh n TYR 396 Ca 0.08 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.48 3jwh n TYR 396 Cb 0.32 -0.94 0.74 0.00 -0.63 0.00 0.00 39.34 38.83 3jwh n TYR 396 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3jwh h ASN 397 N 0.00 0.00 0.14 2.98 4.21 -1.61 -1.72 115.58 119.59 3jwh h ASN 397 Ca -0.54 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 56.67 3jwh h ASN 397 Cb 1.99 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.19 3jwh h ASN 397 CO -0.04 0.01 -1.53 0.58 -1.29 0.00 0.00 177.43 175.15 3jwh h VAL 398 N 0.00 1.00 0.00 2.81 2.07 -1.73 -3.01 116.25 117.39 3jwh h VAL 398 Ca -0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 3jwh h VAL 398 Cb 0.46 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3jwh h VAL 398 CO 0.00 0.76 0.00 0.11 0.02 0.00 0.00 177.57 178.46 3jwh h LYS 399 N -0.15 0.00 -1.77 1.57 6.56 -1.66 -3.36 116.57 117.76 3jwh h LYS 399 Ca -0.32 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 58.81 3jwh h LYS 399 Cb 1.88 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 33.14 3jwh h LYS 399 CO 0.10 0.00 -1.17 1.19 -2.06 0.00 0.00 179.45 177.51 3jwh n PHE 400 N -2.98 0.58 -1.29 -1.35 3.72 -0.65 -5.10 117.46 110.38 3jwh n PHE 400 Ca 0.03 -3.58 -0.37 0.00 -0.05 0.00 0.00 57.45 53.48 3jwh n PHE 400 Cb 0.42 -0.41 0.05 0.00 -0.94 0.00 0.00 39.48 38.60 3jwh n PHE 400 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jwh n ALA 401 N 0.17 -1.90 -1.03 4.37 0.00 -1.14 -4.80 120.51 116.19 3jwh n ALA 401 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3jwh n ALA 401 Cb 0.69 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3jwh n ALA 401 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3jwh n HIS 413 N -2.11 0.00 -0.54 0.00 -0.00 -1.26 -5.12 115.22 106.19 3jwh n HIS 413 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 3jwh n HIS 413 Cb 0.49 -0.47 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 3jwh n HIS 413 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3jwh n ARG 414 N -0.69 -0.22 -0.50 1.57 1.74 -1.26 -4.71 116.66 112.59 3jwh n ARG 414 Ca 0.00 -0.32 0.04 0.00 -0.77 0.00 0.00 57.85 56.80 3jwh n ARG 414 Cb 0.23 -0.73 0.23 0.00 -1.02 0.00 0.00 32.46 31.17 3jwh n ARG 414 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 3jwh n PHE 415 N -0.03 1.15 -1.75 -1.55 -1.74 -1.26 -4.91 117.46 107.37 3jwh n PHE 415 Ca 0.00 -0.40 -0.30 0.00 -0.56 0.00 0.00 57.45 56.19 3jwh n PHE 415 Cb 0.17 -0.32 0.19 0.00 1.52 0.00 0.00 39.48 41.03 3jwh n PHE 415 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 3jwh s GLU 416 N -1.97 0.39 0.14 3.97 2.02 -1.26 -4.92 118.70 117.06 3jwh s GLU 416 Ca 0.30 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 55.06 3jwh s GLU 416 Cb 0.23 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 32.62 3jwh s GLU 416 CO 0.09 -2.60 0.09 -1.58 0.02 0.00 0.00 175.26 171.27 3jwh s TRP 417 N -3.67 3.10 0.59 1.61 0.52 -1.24 -4.83 118.94 115.01 3jwh s TRP 417 Ca 0.72 -0.01 -0.06 0.00 0.02 0.00 0.00 56.10 56.77 3jwh s TRP 417 Cb -0.06 -1.52 0.01 0.00 -1.15 0.00 0.00 33.47 30.75 3jwh s TRP 417 CO 0.53 0.51 0.89 0.95 0.02 0.00 0.00 176.95 179.86 3jwh s THR 418 N -1.60 3.62 0.42 2.01 -4.23 -1.26 -1.11 115.64 113.49 3jwh s THR 418 Ca 0.29 -0.04 0.10 0.00 -1.18 0.00 0.00 61.69 60.86 3jwh s THR 418 Cb -0.11 -3.44 0.23 0.00 1.34 0.00 0.00 72.50 70.52 3jwh s THR 418 CO 0.22 -0.44 2.02 0.03 -0.54 0.00 0.00 174.62 175.91 3jwh h ARG 419 N -0.16 0.33 0.03 3.99 3.08 -1.94 -1.47 114.38 118.24 3jwh h ARG 419 Ca -0.45 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.56 3jwh h ARG 419 Cb 1.26 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3jwh h ARG 419 CO 0.60 0.30 -0.02 1.03 -1.07 0.00 0.00 179.97 180.81 3jwh h SER 420 N 0.33 -0.04 -0.34 7.04 0.87 -1.98 -1.95 113.55 117.48 3jwh h SER 420 Ca 0.08 -0.46 0.04 0.00 -1.23 0.00 0.00 61.79 60.22 3jwh h SER 420 Cb 0.11 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 3jwh h SER 420 CO -0.01 0.45 0.10 1.56 -0.53 0.00 0.00 176.83 178.41 3jwh h GLN 421 N -0.54 0.23 -0.26 2.24 4.20 -1.86 -0.29 115.11 118.83 3jwh h GLN 421 Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3jwh h GLN 421 Cb 0.50 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3jwh h GLN 421 CO 0.01 0.15 0.16 0.35 -0.67 0.00 0.00 178.83 178.83 3jwh h PHE 422 N 0.24 0.34 -0.04 2.96 3.57 -1.33 -0.96 116.94 121.73 3jwh h PHE 422 Ca 0.15 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 3jwh h PHE 422 Cb 0.14 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3jwh h PHE 422 CO -0.15 0.24 -0.39 1.96 -2.23 0.00 0.00 178.31 177.74 3jwh h GLN 423 N 0.34 0.08 -0.12 1.11 4.20 -1.08 -1.20 115.11 118.44 3jwh h GLN 423 Ca 0.09 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.56 3jwh h GLN 423 Cb -0.00 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.78 3jwh h GLN 423 CO -0.02 0.46 -0.78 -0.91 -0.67 0.00 0.00 178.83 176.91 3jwh h ASN 424 N 0.07 0.81 -0.20 1.46 2.35 -0.86 -1.01 115.58 118.20 3jwh h ASN 424 Ca 0.01 -0.54 0.01 0.00 -0.55 0.00 0.00 56.30 55.23 3jwh h ASN 424 Cb 0.72 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3jwh h ASN 424 CO 0.05 1.32 0.10 -0.25 -1.65 0.00 0.00 177.43 177.00 3jwh h TRP 425 N 0.46 0.18 -0.37 1.19 7.01 -0.89 0.11 115.95 123.65 3jwh h TRP 425 Ca -0.05 0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.83 3jwh h TRP 425 Cb 1.39 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.39 3jwh h TRP 425 CO 0.07 0.11 -0.28 0.00 -2.79 0.00 0.00 178.44 175.55 3jwh h ALA 426 N 1.10 0.82 -0.33 2.65 0.00 -1.18 -1.92 119.26 120.40 3jwh h ALA 426 Ca 0.08 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3jwh h ALA 426 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3jwh h ALA 426 CO -0.05 0.64 -0.38 -0.91 0.00 0.00 0.00 179.25 178.54 3jwh h ASN 427 N 0.66 0.82 0.13 0.00 2.35 -1.00 -1.81 115.58 116.72 3jwh h ASN 427 Ca 0.08 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.44 3jwh h ASN 427 Cb 0.80 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 3jwh h ASN 427 CO 0.07 1.11 -0.10 0.11 -1.65 0.00 0.00 177.43 176.97 3jwh h LYS 428 N 0.64 0.00 -0.36 0.81 1.79 -0.52 -1.90 116.57 117.03 3jwh h LYS 428 Ca 0.05 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 3jwh h LYS 428 Cb 0.94 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 3jwh h LYS 428 CO 0.09 0.10 -0.16 0.82 -1.08 0.00 0.00 179.45 179.22 3jwh h ILE 429 N 0.00 1.28 0.00 1.86 1.08 -0.54 -2.71 117.51 118.49 3jwh h ILE 429 Ca -0.00 -1.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 3jwh h ILE 429 Cb 0.19 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 3jwh h ILE 429 CO 0.01 0.42 0.00 0.35 -0.69 0.00 0.00 178.15 178.24 3jwh n THR 430 N -4.32 0.76 -0.03 -0.27 -2.24 -0.74 -0.44 114.28 106.99 3jwh n THR 430 Ca -0.02 0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.86 3jwh n THR 430 Cb 0.40 -0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 67.57 3jwh n THR 430 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jwh n GLU 431 N -1.43 0.64 -0.08 -0.78 1.02 -1.02 -4.40 120.64 114.59 3jwh n GLU 431 Ca 0.05 0.26 -0.11 0.00 -0.02 0.00 0.00 57.16 57.34 3jwh n GLU 431 Cb 0.17 -1.76 -0.15 0.00 -0.02 0.00 0.00 31.44 29.69 3jwh n GLU 431 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3jwh n ARG 432 N -3.02 0.67 -4.36 3.49 1.74 -0.99 -5.00 116.66 109.21 3jwh n ARG 432 Ca -0.19 0.10 -0.24 0.00 -0.77 0.00 0.00 57.85 56.75 3jwh n ARG 432 Cb 1.07 -1.60 -0.09 0.00 -1.02 0.00 0.00 32.46 30.82 3jwh n ARG 432 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3jwh s PHE 433 N -2.52 2.53 -0.93 -1.55 0.08 0.41 -5.03 117.98 110.97 3jwh s PHE 433 Ca -0.12 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 56.60 3jwh s PHE 433 Cb 0.07 -1.14 -0.09 0.00 -0.57 0.00 0.00 43.02 41.29 3jwh s PHE 433 CO 0.80 0.63 2.46 0.00 -0.10 0.00 0.00 175.22 179.00 3jwh n ALA 434 N -0.57 5.49 -2.20 5.36 0.00 -1.26 -4.50 120.51 122.82 3jwh n ALA 434 Ca -0.07 -2.26 -0.10 0.00 0.00 0.00 0.00 53.44 51.00 3jwh n ALA 434 Cb 0.58 -2.96 -0.10 0.00 0.00 0.00 0.00 19.45 16.97 3jwh n ALA 434 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3jwh s TYR 435 N 2.72 0.85 0.10 0.00 1.51 -1.26 -1.57 117.35 119.70 3jwh s TYR 435 Ca 0.49 -0.91 0.09 0.00 -1.01 0.00 0.00 57.07 55.73 3jwh s TYR 435 Cb 0.15 -0.50 -0.03 0.00 -0.11 0.00 0.00 41.96 41.46 3jwh s TYR 435 CO -0.03 -0.16 -0.22 -0.80 -1.11 0.00 0.00 175.55 173.22 3jwh s ASN 436 N -2.96 2.66 0.11 2.29 0.02 -0.65 -4.43 114.94 111.98 3jwh s ASN 436 Ca 0.10 -0.67 0.09 0.00 -1.02 0.00 0.00 52.86 51.36 3jwh s ASN 436 Cb 0.05 -0.16 -0.04 0.00 0.02 0.00 0.00 41.25 41.12 3jwh s ASN 436 CO -0.05 0.10 -0.23 0.54 0.02 0.00 0.00 177.10 177.48 3jwh s VAL 437 N -1.08 1.90 -0.03 1.60 0.11 -1.26 -0.63 120.40 121.00 3jwh s VAL 437 Ca 0.08 -1.58 0.03 0.00 -2.93 0.00 0.00 61.98 57.57 3jwh s VAL 437 Cb -0.10 -1.70 0.01 0.00 -1.53 0.00 0.00 36.38 33.06 3jwh s VAL 437 CO 0.04 0.02 -0.10 -1.10 -3.33 0.00 0.00 175.10 170.63 3jwh s GLN 438 N -1.88 1.14 -0.05 1.54 -1.52 -0.68 -4.99 119.66 113.21 3jwh s GLN 438 Ca 0.09 -0.33 -0.05 0.00 -1.95 0.00 0.00 55.36 53.11 3jwh s GLN 438 Cb -0.10 -1.03 -0.04 0.00 -0.22 0.00 0.00 33.01 31.61 3jwh s GLN 438 CO 0.05 0.10 0.19 -0.06 -0.25 0.00 0.00 175.29 175.31 3jwh s PHE 439 N 0.31 3.58 -0.39 0.91 0.08 -1.26 -1.41 117.98 119.79 3jwh s PHE 439 Ca -0.06 0.48 0.05 0.00 0.12 0.00 0.00 56.93 57.53 3jwh s PHE 439 Cb -0.10 -1.92 0.16 0.00 -0.57 0.00 0.00 43.02 40.59 3jwh s PHE 439 CO 0.01 0.68 0.46 -0.65 -0.10 0.00 0.00 175.22 175.62 3jwh s GLN 440 N -1.51 0.73 0.57 0.44 -0.21 -1.04 -5.01 119.66 113.63 3jwh s GLN 440 Ca 0.22 -0.77 -0.21 0.00 0.02 0.00 0.00 55.36 54.63 3jwh s GLN 440 Cb -0.13 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.35 3jwh s GLN 440 CO 0.12 -1.21 1.28 -0.35 -2.12 0.00 0.00 175.29 173.01 3jwh n PRO 441 N 4.15 1.45 -0.04 2.91 -0.04 -1.26 -3.86 135.00 138.31 3jwh n PRO 441 Ca 0.12 0.54 -0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3jwh n PRO 441 Cb 0.49 -2.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.34 3jwh n PRO 441 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3jwh n ILE 442 N -1.31 0.50 0.00 0.52 -6.64 -0.80 -4.94 119.36 106.68 3jwh n ILE 442 Ca 0.12 -0.46 0.00 0.00 -1.77 0.00 0.00 62.75 60.64 3jwh n ILE 442 Cb 0.45 -0.27 0.00 0.00 -1.44 0.00 0.00 39.64 38.39 3jwh n ILE 442 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3jwh n GLY 443 N 1.94 -1.31 2.75 3.28 0.00 -1.26 -4.92 105.19 105.67 3jwh n GLY 443 Ca -0.13 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 3jwh n GLY 443 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jwh s GLU 444 N 0.00 -0.03 0.19 1.61 2.02 -1.26 -4.89 118.70 116.33 3jwh s GLU 444 Ca 0.00 0.41 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 3jwh s GLU 444 Cb 0.00 -0.39 -0.17 0.00 0.10 0.00 0.00 34.13 33.68 3jwh s GLU 444 CO 0.00 -0.29 0.80 0.00 0.02 0.00 0.00 175.26 175.78 3jwh n ALA 445 N 5.10 -2.09 -0.12 5.21 0.00 -1.26 -4.07 120.51 123.28 3jwh n ALA 445 Ca -0.08 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 3jwh n ALA 445 Cb 0.50 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 3jwh n ALA 445 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3jwh h ASP 446 N 1.85 0.52 -2.05 0.00 -0.00 -1.85 -3.46 116.42 111.44 3jwh h ASP 446 Ca -0.36 -0.19 -0.80 0.00 -0.00 0.00 0.00 57.03 55.68 3jwh h ASP 446 Cb 1.40 -0.14 -0.24 0.00 -0.00 0.00 0.00 39.33 40.36 3jwh h ASP 446 CO 0.61 0.57 1.32 -0.81 -0.00 0.00 0.00 179.24 180.93 3jwh n PRO 447 N -4.65 5.22 0.00 0.28 -0.04 -1.26 -4.92 135.00 129.63 3jwh n PRO 447 Ca -0.01 -4.41 0.00 0.00 -0.04 0.00 0.00 63.50 59.04 3jwh n PRO 447 Cb 0.16 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 3jwh n PRO 447 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3jwh n GLU 448 N 0.41 0.38 -0.30 0.54 2.13 -1.26 -4.76 120.64 117.78 3jwh n GLU 448 Ca 0.49 0.00 0.07 0.00 0.66 0.00 0.00 57.16 58.38 3jwh n GLU 448 Cb 0.26 -0.90 0.20 0.00 0.27 0.00 0.00 31.44 31.27 3jwh n GLU 448 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3jwh n VAL 449 N -2.24 1.77 -4.64 6.31 0.24 -1.26 -5.10 118.33 113.41 3jwh n VAL 449 Ca 0.00 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.71 3jwh n VAL 449 Cb 0.40 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3jwh n VAL 449 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jwh n GLY 450 N -0.28 -0.81 3.88 7.63 0.00 -1.26 -4.57 105.19 109.77 3jwh n GLY 450 Ca 0.16 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 3jwh n GLY 450 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jwh s SER 451 N -4.00 6.07 0.51 1.61 0.01 -1.26 -2.80 113.70 113.83 3jwh s SER 451 Ca 0.00 1.32 0.29 0.00 1.31 0.00 0.00 55.95 58.87 3jwh s SER 451 Cb 0.00 -2.34 1.32 0.00 0.21 0.00 0.00 66.02 65.21 3jwh s SER 451 CO 0.00 -0.95 1.99 1.55 0.41 0.00 0.00 173.24 176.24 3jwh h PRO 452 N -0.35 0.00 -4.70 12.44 0.13 -1.89 -3.43 132.00 134.20 3jwh h PRO 452 Ca -0.44 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.10 3jwh h PRO 452 Cb 1.20 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.98 3jwh h PRO 452 CO 0.62 0.13 -0.83 0.99 -0.23 0.00 0.00 178.00 178.68 3jwh s THR 453 N -3.89 1.50 -0.01 1.56 2.01 -1.26 -0.96 115.64 114.59 3jwh s THR 453 Ca -0.01 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 3jwh s THR 453 Cb 0.11 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 3jwh s THR 453 CO 0.58 0.44 0.37 -1.10 -0.69 0.00 0.00 174.62 174.22 3jwh s GLN 454 N 1.16 3.82 0.02 4.92 -0.21 -0.39 -1.91 119.66 127.08 3jwh s GLN 454 Ca -0.03 0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.69 3jwh s GLN 454 Cb -0.14 -3.19 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 3jwh s GLN 454 CO -0.05 0.69 -0.12 1.41 -2.12 0.00 0.00 175.29 175.10 3jwh s MET 455 N -1.18 0.87 -0.09 2.91 1.75 -1.25 -1.05 119.30 121.26 3jwh s MET 455 Ca 0.24 -0.62 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 3jwh s MET 455 Cb -0.16 -0.84 0.02 0.00 2.84 0.00 0.00 34.83 36.69 3jwh s MET 455 CO 0.13 0.21 -0.12 0.00 -0.65 0.00 0.00 175.02 174.59 3jwh s ALA 456 N -0.67 1.39 -0.35 4.11 0.00 0.16 -2.51 121.76 123.89 3jwh s ALA 456 Ca 0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 3jwh s ALA 456 Cb -0.07 -0.71 0.06 0.00 0.00 0.00 0.00 23.12 22.41 3jwh s ALA 456 CO 0.01 -0.04 0.11 0.08 0.00 0.00 0.00 175.76 175.91 3jwh s VAL 457 N 0.96 3.51 -0.10 0.00 1.01 -0.50 -1.19 120.40 124.10 3jwh s VAL 457 Ca -0.08 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.31 3jwh s VAL 457 Cb -0.15 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3jwh s VAL 457 CO -0.00 -0.30 0.41 -0.36 0.00 0.00 0.00 175.10 174.85 3jwh s PHE 458 N 1.31 3.55 -0.10 5.22 0.08 -0.10 -1.69 117.98 126.26 3jwh s PHE 458 Ca -0.00 0.83 0.04 0.00 0.12 0.00 0.00 56.93 57.92 3jwh s PHE 458 Cb -0.21 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 3jwh s PHE 458 CO 0.00 0.30 -0.23 0.42 -0.10 0.00 0.00 175.22 175.61 3jwh s ILE 459 N 0.19 2.01 0.32 0.64 1.01 0.20 -1.79 121.20 123.78 3jwh s ILE 459 Ca 0.23 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 3jwh s ILE 459 Cb -0.15 -1.74 -0.10 0.00 0.01 0.00 0.00 42.46 40.48 3jwh s ILE 459 CO 0.09 0.55 1.34 -2.28 0.00 0.00 0.00 174.94 174.64 3jwh s HIS 460 N 0.38 3.02 0.61 3.97 5.65 0.49 -1.63 115.29 127.77 3jwh s HIS 460 Ca -0.18 1.34 -0.17 0.00 0.25 0.00 0.00 55.06 56.29 3jwh s HIS 460 Cb -0.18 -3.72 -0.02 0.00 -1.18 0.00 0.00 32.58 27.48 3jwh s HIS 460 CO 0.08 -2.05 1.14 1.03 -0.65 0.00 0.00 174.74 174.29 3jwh s ARG 461 N -1.55 2.99 0.79 2.88 0.52 -0.61 -4.90 118.95 119.07 3jwh s ARG 461 Ca 0.51 1.56 -0.11 0.00 -0.52 0.00 0.00 55.73 57.16 3jwh s ARG 461 Cb -0.40 -1.96 0.06 0.00 0.52 0.00 0.00 34.95 33.17 3jwh s ARG 461 CO 0.52 -1.13 1.10 0.20 0.02 0.00 0.00 175.30 176.00 3jwh s GLY 462 N -2.10 1.62 0.00 -3.53 0.00 -1.26 -5.02 107.32 97.03 3jwh s GLY 462 Ca 0.71 -0.24 0.29 0.00 0.00 0.00 0.00 44.72 45.48 3jwh s GLY 462 CO 0.35 0.19 1.81 -2.39 0.00 0.00 0.00 173.10 173.06