#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ib1 h THR 343 N 0.00 0.00 -2.74 -0.72 1.35 -2.01 -3.48 112.91 105.31 3ib1 h THR 343 Ca 0.00 -0.28 -0.59 0.00 -0.55 0.00 0.00 66.41 64.99 3ib1 h THR 343 Cb 0.00 1.06 0.10 0.00 -1.73 0.00 0.00 68.15 67.58 3ib1 h THR 343 CO 0.00 0.00 0.44 -1.14 -0.25 0.00 0.00 175.52 174.57 3ib1 n ARG 344 N -2.40 1.82 -4.94 4.72 0.63 -1.26 -4.92 116.66 110.30 3ib1 n ARG 344 Ca 0.02 0.64 -0.31 0.00 -0.92 0.00 0.00 57.85 57.28 3ib1 n ARG 344 Cb 0.24 -2.20 -0.14 0.00 0.45 0.00 0.00 32.46 30.81 3ib1 n ARG 344 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ib1 s VAL 345 N -0.60 2.60 -0.28 5.15 1.01 -0.91 -5.03 120.40 122.34 3ib1 s VAL 345 Ca 0.63 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 3ib1 s VAL 345 Cb -0.66 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 33.72 3ib1 s VAL 345 CO 0.56 0.49 0.04 -0.69 0.00 0.00 0.00 175.10 175.50 3ib1 s VAL 346 N -0.76 3.64 0.36 2.92 1.01 -1.26 -1.51 120.40 124.80 3ib1 s VAL 346 Ca 0.12 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 3ib1 s VAL 346 Cb -0.10 -2.88 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 3ib1 s VAL 346 CO 0.02 0.09 0.86 0.86 0.00 0.00 0.00 175.10 176.92 3ib1 s TRP 347 N 1.44 3.41 -0.24 5.22 -0.11 -0.30 -0.58 118.94 127.79 3ib1 s TRP 347 Ca 0.01 1.48 -0.06 0.00 1.22 0.00 0.00 56.10 58.75 3ib1 s TRP 347 Cb -0.17 -2.73 -0.02 0.00 -1.50 0.00 0.00 33.47 29.05 3ib1 s TRP 347 CO 0.01 0.04 0.03 0.00 -4.62 0.00 0.00 176.95 172.40 3ib1 s ALA 349 N 1.53 3.77 -0.55 0.00 0.00 0.77 -4.80 121.76 122.48 3ib1 s ALA 349 Ca 0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 3ib1 s ALA 349 Cb -0.15 -2.16 0.13 0.00 0.00 0.00 0.00 23.12 20.95 3ib1 s ALA 349 CO 0.01 0.44 0.49 0.08 0.00 0.00 0.00 175.76 176.78 3ib1 s VAL 350 N -0.60 5.05 0.00 0.00 1.01 -1.26 -1.42 120.40 123.18 3ib1 s VAL 350 Ca 0.16 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.52 3ib1 s VAL 350 Cb -0.13 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3ib1 s VAL 350 CO 0.05 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 174.90 3ib1 n GLY 351 N 5.09 0.89 0.23 4.51 0.00 -0.59 -4.45 105.19 110.87 3ib1 n GLY 351 Ca -0.11 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.10 3ib1 n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ib1 h PRO 352 N 0.00 0.00 0.14 1.61 0.13 -1.93 -2.17 132.00 129.77 3ib1 h PRO 352 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 3ib1 h PRO 352 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 3ib1 h PRO 352 CO 0.00 0.21 -1.01 0.93 -0.23 0.00 0.00 178.00 177.90 3ib1 h GLU 353 N 0.00 0.44 -0.12 0.86 5.08 -1.98 -2.43 114.58 116.43 3ib1 h GLU 353 Ca -0.00 -0.66 -0.06 0.00 -1.00 0.00 0.00 59.36 57.64 3ib1 h GLU 353 Cb 0.43 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3ib1 h GLU 353 CO 0.03 1.29 -0.21 0.93 -1.00 0.00 0.00 179.01 180.05 3ib1 h GLU 354 N -0.08 0.21 0.05 2.33 5.08 -1.76 -2.56 114.58 117.86 3ib1 h GLU 354 Ca -0.17 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3ib1 h GLU 354 Cb 1.76 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 3ib1 h GLU 354 CO 0.19 0.42 -0.13 0.37 -1.00 0.00 0.00 179.01 178.85 3ib1 h GLN 355 N 0.19 -0.24 -0.61 2.33 4.15 -1.36 -0.73 115.11 118.84 3ib1 h GLN 355 Ca 0.03 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3ib1 h GLN 355 Cb 0.48 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3ib1 h GLN 355 CO 0.03 -0.16 0.28 -0.22 -1.93 0.00 0.00 178.83 176.83 3ib1 h LYS 356 N -0.25 0.87 -0.37 1.69 3.64 -1.23 0.60 116.57 121.52 3ib1 h LYS 356 Ca 0.03 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 3ib1 h LYS 356 Cb 0.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3ib1 h LYS 356 CO -0.09 0.68 -0.34 -0.22 -2.27 0.00 0.00 179.45 177.21 3ib1 h LYS 357 N 0.86 0.84 -0.24 1.90 3.64 -1.37 -2.81 116.57 119.40 3ib1 h LYS 357 Ca 0.21 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3ib1 h LYS 357 Cb 0.11 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3ib1 h LYS 357 CO -0.03 1.05 0.15 0.00 -2.27 0.00 0.00 179.45 178.36 3ib1 h GLN 359 N 0.32 0.71 -0.03 0.00 4.20 -0.68 0.34 115.11 119.97 3ib1 h GLN 359 Ca 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3ib1 h GLN 359 Cb -0.03 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 3ib1 h GLN 359 CO -0.02 0.47 -0.00 1.96 -0.67 0.00 0.00 178.83 180.56 3ib1 h GLN 360 N 0.73 0.05 -0.69 1.46 4.20 -1.36 -1.47 115.11 118.03 3ib1 h GLN 360 Ca 0.54 -0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.34 3ib1 h GLN 360 Cb 0.88 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.57 3ib1 h GLN 360 CO -0.31 0.39 0.28 2.35 -0.67 0.00 0.00 178.83 180.87 3ib1 h TRP 361 N -0.29 0.49 0.28 2.96 7.01 -0.91 -0.92 115.95 124.58 3ib1 h TRP 361 Ca 0.01 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 3ib1 h TRP 361 Cb 0.37 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 3ib1 h TRP 361 CO 0.05 0.10 -0.15 1.03 -2.79 0.00 0.00 178.44 176.68 3ib1 h SER 362 N 0.46 -0.37 -0.67 2.65 0.87 -0.16 -1.58 113.55 114.74 3ib1 h SER 362 Ca 0.36 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 3ib1 h SER 362 Cb 0.49 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 3ib1 h SER 362 CO -0.35 -0.25 0.37 -0.61 -0.53 0.00 0.00 176.83 175.46 3ib1 h GLN 363 N -0.41 0.93 0.00 2.24 4.15 -1.08 -1.68 115.11 119.26 3ib1 h GLN 363 Ca -0.03 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3ib1 h GLN 363 Cb 0.33 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3ib1 h GLN 363 CO 0.04 0.70 0.00 1.04 -1.93 0.00 0.00 178.83 178.68 3ib1 n GLN 364 N -4.52 0.16 0.00 1.69 1.13 -0.37 -3.46 117.38 112.01 3ib1 n GLN 364 Ca 0.05 0.47 0.11 0.00 -1.94 0.00 0.00 57.00 55.70 3ib1 n GLN 364 Cb 0.09 -1.86 0.13 0.00 0.11 0.00 0.00 30.24 28.70 3ib1 n GLN 364 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3ib1 n SER 365 N -2.18 1.00 -0.54 1.08 3.41 -0.61 -4.98 113.62 110.81 3ib1 n SER 365 Ca 0.01 -0.81 -0.04 0.00 -0.26 0.00 0.00 58.87 57.78 3ib1 n SER 365 Cb 0.17 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3ib1 n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ib1 n GLY 366 N 1.45 0.34 2.35 5.00 0.00 -1.20 -2.83 105.19 110.30 3ib1 n GLY 366 Ca 0.07 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 3ib1 n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ib1 n GLN 367 N -1.31 -1.90 0.21 1.61 1.13 -1.22 -4.83 117.38 111.06 3ib1 n GLN 367 Ca -0.03 0.73 0.06 0.00 -1.94 0.00 0.00 57.00 55.81 3ib1 n GLN 367 Cb 0.53 -5.26 0.46 0.00 0.11 0.00 0.00 30.24 26.08 3ib1 n GLN 367 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 3ib1 h ASN 368 N 0.00 0.00 -3.43 1.08 2.35 -1.77 -3.42 115.58 110.40 3ib1 h ASN 368 Ca -0.33 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 54.98 3ib1 h ASN 368 Cb 1.17 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.20 3ib1 h ASN 368 CO 0.41 0.28 -0.78 -0.69 -1.65 0.00 0.00 177.43 175.00 3ib1 s VAL 369 N -4.22 0.67 0.50 2.81 1.01 -1.26 -2.14 120.40 117.78 3ib1 s VAL 369 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3ib1 s VAL 369 Cb 0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3ib1 s VAL 369 CO 0.69 0.26 0.00 0.42 0.00 0.00 0.00 175.10 176.47 3ib1 s THR 370 N 0.97 1.22 0.01 3.92 -4.23 -0.57 -4.23 115.64 112.73 3ib1 s THR 370 Ca -0.10 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.49 3ib1 s THR 370 Cb -0.14 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 3ib1 s THR 370 CO 0.00 0.00 -0.26 0.00 -0.54 0.00 0.00 174.62 173.82 3ib1 s ALA 372 N -0.70 1.91 0.01 0.00 0.00 0.02 -4.92 121.76 118.09 3ib1 s ALA 372 Ca 0.11 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.75 3ib1 s ALA 372 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3ib1 s ALA 372 CO 0.00 0.34 -0.06 0.99 0.00 0.00 0.00 175.76 177.04 3ib1 s THR 373 N -1.39 0.43 0.10 0.00 2.01 -1.26 -0.16 115.64 115.36 3ib1 s THR 373 Ca 0.10 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 3ib1 s THR 373 Cb -0.09 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 3ib1 s THR 373 CO 0.05 -0.04 0.16 0.00 -0.69 0.00 0.00 174.62 174.10 3ib1 s ALA 374 N -0.51 -0.00 -0.35 7.40 0.00 -0.51 -4.92 121.76 122.86 3ib1 s ALA 374 Ca -0.02 -0.81 0.23 0.00 0.00 0.00 0.00 51.96 51.36 3ib1 s ALA 374 Cb -0.04 0.53 0.18 0.00 0.00 0.00 0.00 23.12 23.78 3ib1 s ALA 374 CO -0.00 -0.50 1.31 0.77 0.00 0.00 0.00 175.76 177.34 3ib1 h SER 375 N 2.79 0.00 -5.12 0.00 0.02 -1.95 -1.56 113.55 107.73 3ib1 h SER 375 Ca -0.34 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.46 3ib1 h SER 375 Cb 1.19 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.57 3ib1 h SER 375 CO 0.57 0.01 -0.69 0.42 -1.14 0.00 0.00 176.83 176.00 3ib1 s THR 376 N -3.28 0.23 0.12 -2.27 -4.23 -1.26 -4.48 115.64 100.47 3ib1 s THR 376 Ca 0.03 -1.58 -0.22 0.00 -1.18 0.00 0.00 61.69 58.74 3ib1 s THR 376 Cb 0.08 -1.21 -0.05 0.00 1.34 0.00 0.00 72.50 72.66 3ib1 s THR 376 CO 0.73 -0.86 1.69 0.74 -0.54 0.00 0.00 174.62 176.39 3ib1 h THR 377 N 3.53 0.73 -0.71 3.99 2.02 -1.91 -1.03 112.91 119.54 3ib1 h THR 377 Ca -0.34 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.00 3ib1 h THR 377 Cb 1.16 0.73 -0.12 0.00 -1.74 0.00 0.00 68.15 68.18 3ib1 h THR 377 CO 0.59 0.00 0.07 0.44 0.37 0.00 0.00 175.52 176.99 3ib1 h ASP 378 N -0.11 -0.19 -0.11 4.18 3.32 -1.97 -0.05 116.42 121.49 3ib1 h ASP 378 Ca 0.07 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3ib1 h ASP 378 Cb 0.22 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3ib1 h ASP 378 CO -0.17 -0.11 0.01 0.44 -1.72 0.00 0.00 179.24 177.69 3ib1 h ASP 379 N 0.17 0.25 0.03 6.45 3.32 -1.77 -1.59 116.42 123.28 3ib1 h ASP 379 Ca 0.39 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.26 3ib1 h ASP 379 Cb 0.67 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3ib1 h ASP 379 CO -0.57 0.29 -0.51 0.00 -1.72 0.00 0.00 179.24 176.73 3ib1 h ILE 381 N 0.42 0.94 -0.40 0.00 2.04 -0.15 -1.97 117.51 118.39 3ib1 h ILE 381 Ca 0.02 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3ib1 h ILE 381 Cb 1.03 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3ib1 h ILE 381 CO 0.09 0.07 0.27 0.58 0.00 0.00 0.00 178.15 179.16 3ib1 h VAL 382 N 0.38 1.11 -0.96 1.67 2.07 -1.37 -1.11 116.25 118.03 3ib1 h VAL 382 Ca 0.18 -0.19 0.17 0.00 0.82 0.00 0.00 66.70 67.68 3ib1 h VAL 382 Cb 0.11 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.30 3ib1 h VAL 382 CO -0.14 0.10 0.61 -0.07 0.02 0.00 0.00 177.57 178.09 3ib1 h LEU 383 N 0.55 0.71 -0.10 2.57 3.38 -1.04 -1.41 115.31 119.97 3ib1 h LEU 383 Ca 0.15 0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.94 3ib1 h LEU 383 Cb -0.06 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ib1 h LEU 383 CO -0.03 0.30 -0.88 0.58 0.09 0.00 0.00 178.44 178.50 3ib1 h VAL 384 N 0.71 1.28 -0.84 1.22 2.07 -0.48 -0.14 116.25 120.06 3ib1 h VAL 384 Ca 0.52 -2.07 0.02 0.00 0.82 0.00 0.00 66.70 65.99 3ib1 h VAL 384 Cb 0.86 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 3ib1 h VAL 384 CO -0.28 0.65 0.56 -0.07 0.02 0.00 0.00 177.57 178.44 3ib1 h LEU 385 N 0.49 0.93 -0.80 2.57 3.38 -0.90 -2.34 115.31 118.65 3ib1 h LEU 385 Ca -0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ib1 h LEU 385 Cb 1.52 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3ib1 h LEU 385 CO 0.18 0.66 0.00 0.11 0.09 0.00 0.00 178.44 179.48 3ib1 h LYS 386 N 1.09 0.00 0.00 1.13 1.57 -1.16 -3.46 116.57 115.74 3ib1 h LYS 386 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3ib1 h LYS 386 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3ib1 h LYS 386 CO -0.08 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.21 3ib1 n GLY 387 N 0.44 0.60 0.08 3.86 0.00 -0.88 -4.97 105.19 104.32 3ib1 n GLY 387 Ca 0.02 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.68 3ib1 n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ib1 n GLU 388 N -2.70 0.59 -4.46 1.61 1.02 -0.13 -4.87 120.64 111.70 3ib1 n GLU 388 Ca 0.00 0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 3ib1 n GLU 388 Cb 0.00 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 29.59 3ib1 n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ib1 s ALA 389 N -3.39 2.64 -0.24 0.62 0.00 -0.83 -4.95 121.76 115.61 3ib1 s ALA 389 Ca -0.02 -1.87 -0.04 0.00 0.00 0.00 0.00 51.96 50.02 3ib1 s ALA 389 Cb 0.11 -0.19 -0.18 0.00 0.00 0.00 0.00 23.12 22.87 3ib1 s ALA 389 CO 0.82 0.20 -0.13 -0.25 0.00 0.00 0.00 175.76 176.41 3ib1 n ASP 390 N -0.60 1.99 -3.64 0.00 8.00 0.26 -4.33 116.55 118.23 3ib1 n ASP 390 Ca -0.06 0.06 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 3ib1 n ASP 390 Cb 0.61 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 3ib1 n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ib1 s ALA 391 N -2.51 -1.43 0.18 2.24 0.00 -1.16 -4.10 121.76 114.97 3ib1 s ALA 391 Ca -0.33 0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.51 3ib1 s ALA 391 Cb 0.10 0.85 0.06 0.00 0.00 0.00 0.00 23.12 24.13 3ib1 s ALA 391 CO 0.60 -0.90 0.71 -0.48 0.00 0.00 0.00 175.76 175.69 3ib1 s LEU 392 N -2.83 -0.41 0.02 0.00 2.34 -1.12 -1.81 118.68 114.86 3ib1 s LEU 392 Ca 0.06 -0.22 -0.20 0.00 0.06 0.00 0.00 54.13 53.83 3ib1 s LEU 392 Cb -0.03 2.53 -0.06 0.00 -0.56 0.00 0.00 46.19 48.07 3ib1 s LEU 392 CO -0.03 -1.04 0.58 0.21 -1.06 0.00 0.00 176.35 175.02 3ib1 s ASN 393 N -2.79 6.99 0.03 1.48 2.47 -1.26 -1.33 114.94 120.54 3ib1 s ASN 393 Ca 0.06 1.18 0.03 0.00 0.42 0.00 0.00 52.86 54.54 3ib1 s ASN 393 Cb -0.03 -2.36 -0.02 0.00 -1.45 0.00 0.00 41.25 37.40 3ib1 s ASN 393 CO -0.05 0.15 -0.08 -0.76 -3.72 0.00 0.00 177.10 172.64 3ib1 s LEU 394 N -0.44 2.16 0.67 3.21 1.43 0.40 -4.92 118.68 121.18 3ib1 s LEU 394 Ca 0.30 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 3ib1 s LEU 394 Cb -0.18 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.75 3ib1 s LEU 394 CO 0.18 -0.07 1.19 -0.62 0.23 0.00 0.00 176.35 177.26 3ib1 s ASP 395 N -1.01 4.73 0.32 2.29 2.15 -1.26 -2.33 116.67 121.55 3ib1 s ASP 395 Ca -0.04 2.29 0.07 0.00 0.43 0.00 0.00 52.55 55.31 3ib1 s ASP 395 Cb -0.07 -2.58 0.77 0.00 -0.30 0.00 0.00 42.92 40.74 3ib1 s ASP 395 CO 0.00 -1.90 1.80 1.23 -0.17 0.00 0.00 175.17 176.13 3ib1 h GLY 396 N 0.18 1.60 0.43 2.66 0.00 -1.85 -1.34 103.07 104.75 3ib1 h GLY 396 Ca -0.48 -0.34 0.16 0.00 0.00 0.00 0.00 47.33 46.67 3ib1 h GLY 396 CO 0.52 -0.01 0.58 -1.33 0.00 0.00 0.00 176.54 176.30 3ib1 h GLY 397 N 0.74 1.18 1.71 4.60 0.00 -1.88 -1.80 103.07 107.61 3ib1 h GLY 397 Ca 0.55 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 47.43 3ib1 h GLY 397 CO -0.32 0.05 -0.93 -0.97 0.00 0.00 0.00 176.54 174.36 3ib1 h TYR 398 N 0.63 0.00 0.00 5.60 0.05 -1.44 -3.12 116.97 118.69 3ib1 h TYR 398 Ca 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.23 3ib1 h TYR 398 Cb 0.85 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.59 3ib1 h TYR 398 CO -0.00 0.71 -0.07 0.82 -1.05 0.00 0.00 178.16 178.57 3ib1 h ILE 399 N 0.00 0.78 -0.14 -2.88 2.04 -0.61 1.00 117.51 117.70 3ib1 h ILE 399 Ca -0.06 -0.25 -0.19 0.00 1.00 0.00 0.00 64.86 65.36 3ib1 h ILE 399 Cb 1.59 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3ib1 h ILE 399 CO 0.08 0.06 -0.64 0.22 0.00 0.00 0.00 178.15 177.87 3ib1 h TYR 400 N 0.00 0.92 0.62 1.37 3.20 -1.38 -1.93 116.97 119.77 3ib1 h TYR 400 Ca -0.00 -0.40 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 3ib1 h TYR 400 Cb 0.14 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3ib1 h TYR 400 CO 0.00 1.21 -0.48 1.15 -1.64 0.00 0.00 178.16 178.40 3ib1 h THR 401 N 0.37 0.04 -0.58 1.81 2.02 -1.23 -3.08 112.91 112.26 3ib1 h THR 401 Ca -0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 3ib1 h THR 401 Cb 1.28 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3ib1 h THR 401 CO 0.13 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.41 3ib1 h ALA 402 N -0.93 1.76 -0.00 6.16 0.00 -0.88 -2.69 119.26 122.67 3ib1 h ALA 402 Ca -0.08 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3ib1 h ALA 402 Cb 0.90 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ib1 h ALA 402 CO 0.01 0.16 -0.83 0.78 0.00 0.00 0.00 179.25 179.38 3ib1 h GLY 403 N 0.62 0.17 2.00 0.00 0.00 -1.37 -0.97 103.07 103.53 3ib1 h GLY 403 Ca 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3ib1 h GLY 403 CO -0.07 0.26 -0.12 0.50 0.00 0.00 0.00 176.54 177.12 3ib1 h LYS 404 N 0.09 0.00 -0.15 4.80 1.57 -1.39 -1.49 116.57 119.99 3ib1 h LYS 404 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ib1 h LYS 404 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.75 3ib1 h LYS 404 CO 0.12 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 3ib1 n GLY 406 N 1.12 0.66 3.90 0.00 0.00 -0.56 -5.07 105.19 105.24 3ib1 n GLY 406 Ca 0.16 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 3ib1 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ib1 s LEU 407 N 0.00 3.58 0.03 0.99 1.43 -0.43 -4.19 118.68 120.08 3ib1 s LEU 407 Ca 0.00 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 3ib1 s LEU 407 Cb 0.00 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 3ib1 s LEU 407 CO 0.00 -0.61 -0.09 0.68 0.23 0.00 0.00 176.35 176.56 3ib1 s VAL 408 N -2.78 0.64 0.42 -1.59 -7.23 -0.19 -4.14 120.40 105.52 3ib1 s VAL 408 Ca 0.49 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.63 3ib1 s VAL 408 Cb -0.10 -0.62 -0.08 0.00 0.56 0.00 0.00 36.38 36.13 3ib1 s VAL 408 CO 0.45 -0.13 1.28 -2.84 -0.31 0.00 0.00 175.10 173.56 3ib1 s PRO 409 N -1.00 3.91 0.00 4.82 0.02 -1.26 -1.89 135.00 139.60 3ib1 s PRO 409 Ca -0.03 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.09 3ib1 s PRO 409 Cb -0.07 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.76 3ib1 s PRO 409 CO 0.00 -0.52 0.00 0.28 -0.33 0.00 0.00 177.00 176.43 3ib1 n VAL 410 N 0.01 0.00 -3.69 3.83 0.31 0.44 -4.92 118.33 114.31 3ib1 n VAL 410 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 3ib1 n VAL 410 Cb 0.44 -0.92 -0.09 0.00 -0.91 0.00 0.00 33.84 32.37 3ib1 n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ib1 s LEU 411 N -5.35 0.11 0.30 7.52 1.43 -1.24 -4.53 118.68 116.91 3ib1 s LEU 411 Ca 0.00 0.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.02 3ib1 s LEU 411 Cb 0.00 1.75 -0.03 0.00 0.03 0.00 0.00 46.19 47.94 3ib1 s LEU 411 CO 0.00 -0.27 0.20 0.00 0.23 0.00 0.00 176.35 176.52 3ib1 s ALA 412 N -0.14 3.62 0.40 4.21 0.00 -0.37 -1.02 121.76 128.47 3ib1 s ALA 412 Ca -0.03 -1.59 -0.22 0.00 0.00 0.00 0.00 51.96 50.12 3ib1 s ALA 412 Cb -0.03 -1.12 -0.11 0.00 0.00 0.00 0.00 23.12 21.86 3ib1 s ALA 412 CO 0.02 0.13 0.95 -1.21 0.00 0.00 0.00 175.76 175.66 3ib1 s GLU 413 N -3.88 4.31 -0.04 0.00 2.02 -0.76 0.77 118.70 121.11 3ib1 s GLU 413 Ca 0.36 1.19 0.01 0.00 0.02 0.00 0.00 54.97 56.55 3ib1 s GLU 413 Cb -0.06 -2.35 0.02 0.00 0.10 0.00 0.00 34.13 31.84 3ib1 s GLU 413 CO 0.25 0.04 -0.03 1.21 0.02 0.00 0.00 175.26 176.74 3ib1 s ASN 414 N -2.01 0.87 0.50 -0.19 3.84 -0.32 -4.83 114.94 112.79 3ib1 s ASN 414 Ca 0.59 -0.11 0.08 0.00 0.21 0.00 0.00 52.86 53.63 3ib1 s ASN 414 Cb -0.12 -0.41 0.03 0.00 -0.55 0.00 0.00 41.25 40.21 3ib1 s ASN 414 CO 0.16 -0.07 0.54 0.00 -2.79 0.00 0.00 177.10 174.95 3ib1 s ARG 415 N 0.96 2.44 0.23 0.43 3.03 -1.26 0.60 118.95 125.38 3ib1 s ARG 415 Ca -0.10 -1.65 -0.32 0.00 2.03 0.00 0.00 55.73 55.69 3ib1 s ARG 415 Cb -0.14 -2.45 -0.13 0.00 -1.03 0.00 0.00 34.95 31.20 3ib1 s ARG 415 CO -0.00 -0.52 1.49 1.63 -1.13 0.00 0.00 175.30 176.77 3ib1 n LYS 416 N -1.87 2.22 -3.77 3.89 4.76 -1.26 -4.83 118.16 117.30 3ib1 n LYS 416 Ca 0.07 0.79 -0.14 0.00 -2.87 0.00 0.00 58.31 56.16 3ib1 n LYS 416 Cb 0.62 -2.51 -0.15 0.00 -1.84 0.00 0.00 35.03 31.15 3ib1 n LYS 416 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3ib1 s SER 417 N 0.49 -0.01 -0.10 4.39 0.15 -1.26 -5.08 113.70 112.28 3ib1 s SER 417 Ca 0.70 0.13 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 3ib1 s SER 417 Cb -0.62 0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 63.72 3ib1 s SER 417 CO 0.46 -0.12 -0.02 -1.28 1.20 0.00 0.00 173.24 173.48 3ib1 h SER 418 N 7.11 0.00 -3.45 5.45 0.87 -2.03 -3.44 113.55 118.07 3ib1 h SER 418 Ca -0.42 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 59.70 3ib1 h SER 418 Cb 1.14 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 63.30 3ib1 h SER 418 CO 0.46 0.51 0.06 -0.75 -0.53 0.00 0.00 176.83 176.58 3ib1 s LYS 419 N -1.61 -0.55 -1.67 2.24 2.36 -1.26 -3.64 119.74 115.60 3ib1 s LYS 419 Ca -0.02 0.77 0.00 0.00 -2.55 0.00 0.00 55.97 54.18 3ib1 s LYS 419 Cb 0.00 -1.60 0.00 0.00 -1.05 0.00 0.00 37.83 35.18 3ib1 s LYS 419 CO 0.03 -3.46 0.00 0.72 1.55 0.00 0.00 175.35 174.19 3ib1 n HIS 420 N -4.72 -0.28 1.29 4.03 8.25 -1.26 -4.81 115.22 117.72 3ib1 n HIS 420 Ca 0.04 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.59 3ib1 n HIS 420 Cb 0.55 -3.08 0.34 0.00 1.12 0.00 0.00 29.99 28.92 3ib1 n HIS 420 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ib1 n SER 421 N -0.90 1.44 0.16 0.41 2.88 -1.24 -3.45 113.62 112.92 3ib1 n SER 421 Ca -0.18 -1.74 0.02 0.00 -1.33 0.00 0.00 58.87 55.64 3ib1 n SER 421 Cb 0.59 -0.11 0.34 0.00 -0.75 0.00 0.00 64.21 64.28 3ib1 n SER 421 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3ib1 h SER 422 N 1.82 0.07 -1.56 -3.46 0.02 -1.90 -3.47 113.55 105.07 3ib1 h SER 422 Ca 0.00 -0.02 -0.50 0.00 -0.84 0.00 0.00 61.79 60.42 3ib1 h SER 422 Cb 0.40 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3ib1 h SER 422 CO 0.00 0.42 -0.40 -0.76 -1.14 0.00 0.00 176.83 174.94 3ib1 s LEU 423 N -8.28 3.37 0.21 5.07 1.02 -1.22 -5.16 118.68 113.69 3ib1 s LEU 423 Ca -0.03 -0.77 -0.24 0.00 0.02 0.00 0.00 54.13 53.10 3ib1 s LEU 423 Cb 0.14 -1.98 -0.08 0.00 0.02 0.00 0.00 46.19 44.29 3ib1 s LEU 423 CO 0.73 -0.61 0.81 -0.62 0.02 0.00 0.00 176.35 176.68 3ib1 s ASP 424 N -4.08 7.32 0.19 2.29 2.15 -1.26 -4.91 116.67 118.36 3ib1 s ASP 424 Ca 0.46 1.65 -0.17 0.00 0.43 0.00 0.00 52.55 54.93 3ib1 s ASP 424 Cb -0.02 -2.50 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 3ib1 s ASP 424 CO 0.27 0.11 1.63 0.00 -0.17 0.00 0.00 175.17 177.01 3ib1 h VAL 426 N -0.06 1.10 0.00 0.00 2.07 -1.95 -0.64 116.25 116.77 3ib1 h VAL 426 Ca 0.25 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3ib1 h VAL 426 Cb 0.44 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3ib1 h VAL 426 CO -0.56 0.17 -0.22 0.18 0.02 0.00 0.00 177.57 177.16 3ib1 n LEU 427 N -4.62 0.36 -4.71 2.57 4.77 -0.87 -1.51 117.00 112.98 3ib1 n LEU 427 Ca 0.09 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 3ib1 n LEU 427 Cb 0.10 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3ib1 n LEU 427 CO 0.33 -0.00 0.98 -0.60 -1.33 0.00 0.00 177.39 176.77 3ib1 s ARG 428 N -3.04 4.37 0.27 3.23 3.52 0.90 -4.94 118.95 123.26 3ib1 s ARG 428 Ca 0.12 1.93 -0.30 0.00 -0.13 0.00 0.00 55.73 57.35 3ib1 s ARG 428 Cb 0.17 -3.30 -0.14 0.00 -1.56 0.00 0.00 34.95 30.12 3ib1 s ARG 428 CO 0.61 -0.36 1.24 -2.30 -0.81 0.00 0.00 175.30 173.68 3ib1 n PRO 429 N 3.97 1.74 -0.29 5.12 -0.02 -1.26 -4.85 135.00 139.40 3ib1 n PRO 429 Ca 0.10 0.61 -0.06 0.00 -2.02 0.00 0.00 63.50 62.14 3ib1 n PRO 429 Cb 0.44 -2.15 0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3ib1 n PRO 429 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ib1 n THR 430 N 1.03 0.00 0.00 3.45 -2.24 -1.26 -5.03 114.28 110.23 3ib1 n THR 430 Ca 0.10 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3ib1 n THR 430 Cb 0.32 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 3ib1 n THR 430 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ib1 n GLU 431 N -1.93 0.00 0.00 -0.78 1.02 -1.26 -5.13 120.64 112.56 3ib1 n GLU 431 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3ib1 n GLU 431 Cb 0.12 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 3ib1 n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ib1 n GLY 432 N 0.88 1.96 3.93 0.62 0.00 -1.26 -4.88 105.19 106.45 3ib1 n GLY 432 Ca 0.00 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.24 3ib1 n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ib1 s TYR 433 N -0.82 2.85 -0.22 1.61 1.13 -0.23 -4.63 117.35 117.04 3ib1 s TYR 433 Ca 0.00 0.40 -0.10 0.00 -1.41 0.00 0.00 57.07 55.96 3ib1 s TYR 433 Cb 0.00 -3.20 -0.05 0.00 -1.10 0.00 0.00 41.96 37.61 3ib1 s TYR 433 CO 0.00 -1.43 0.13 -0.51 -2.51 0.00 0.00 175.55 171.23 3ib1 s LEU 434 N -5.24 4.10 -0.10 -3.49 1.43 -1.26 0.59 118.68 114.70 3ib1 s LEU 434 Ca 0.60 0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 53.67 3ib1 s LEU 434 Cb -0.10 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3ib1 s LEU 434 CO 0.45 0.13 0.50 0.00 0.23 0.00 0.00 176.35 177.65 3ib1 s ALA 435 N 0.68 3.47 0.18 4.21 0.00 -0.11 -1.05 121.76 129.15 3ib1 s ALA 435 Ca 0.07 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.94 3ib1 s ALA 435 Cb -0.12 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 3ib1 s ALA 435 CO 0.01 0.02 -0.09 0.14 0.00 0.00 0.00 175.76 175.84 3ib1 s VAL 436 N 0.52 1.32 -0.12 0.00 -7.23 -0.58 -0.11 120.40 114.21 3ib1 s VAL 436 Ca 0.27 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 3ib1 s VAL 436 Cb -0.16 -2.02 -0.00 0.00 0.56 0.00 0.00 36.38 34.76 3ib1 s VAL 436 CO 0.12 -0.61 -0.20 0.00 -0.31 0.00 0.00 175.10 174.10 3ib1 s ALA 437 N -3.23 2.33 0.11 1.32 0.00 -1.26 -2.83 121.76 118.20 3ib1 s ALA 437 Ca 0.21 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.30 3ib1 s ALA 437 Cb 0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3ib1 s ALA 437 CO 0.04 0.23 -0.22 0.08 0.00 0.00 0.00 175.76 175.90 3ib1 s VAL 438 N 0.41 2.59 0.09 0.00 1.01 0.11 -1.53 120.40 123.08 3ib1 s VAL 438 Ca -0.15 -1.57 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 3ib1 s VAL 438 Cb -0.17 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3ib1 s VAL 438 CO 0.07 0.13 0.07 0.68 0.00 0.00 0.00 175.10 176.05 3ib1 s VAL 439 N -1.08 0.16 0.30 2.92 -7.23 -0.35 -2.12 120.40 113.00 3ib1 s VAL 439 Ca 0.16 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 3ib1 s VAL 439 Cb -0.10 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.10 3ib1 s VAL 439 CO 0.08 -0.72 1.29 -0.54 -0.31 0.00 0.00 175.10 174.90 3ib1 s LYS 440 N -3.94 4.39 0.45 4.82 -0.14 -1.26 -0.59 119.74 123.46 3ib1 s LYS 440 Ca 0.12 2.16 0.12 0.00 -1.36 0.00 0.00 55.97 57.00 3ib1 s LYS 440 Cb 0.07 -3.10 1.04 0.00 -1.68 0.00 0.00 37.83 34.15 3ib1 s LYS 440 CO -0.06 -0.17 2.05 -0.22 -0.76 0.00 0.00 175.35 176.19 3ib1 h LYS 441 N 3.84 0.34 0.00 1.68 3.64 0.18 -2.57 116.57 123.68 3ib1 h LYS 441 Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3ib1 h LYS 441 Cb 1.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3ib1 h LYS 441 CO 0.68 0.22 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 3ib1 h ALA 442 N 1.79 1.00 -1.00 5.00 0.00 -1.92 -3.33 119.26 120.79 3ib1 h ALA 442 Ca 0.16 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.31 3ib1 h ALA 442 Cb 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.82 3ib1 h ALA 442 CO -0.04 0.00 1.90 -1.71 0.00 0.00 0.00 179.25 179.41 3ib1 n ASN 443 N -3.04 6.02 -4.75 0.00 2.85 -0.97 -5.03 115.26 110.34 3ib1 n ASN 443 Ca -0.02 -3.18 -0.41 0.00 -0.11 0.00 0.00 54.58 50.86 3ib1 n ASN 443 Cb 0.15 -1.41 -0.03 0.00 1.24 0.00 0.00 39.78 39.72 3ib1 n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3ib1 s GLU 444 N -0.60 4.50 0.00 1.20 2.02 -1.25 -2.70 118.70 121.87 3ib1 s GLU 444 Ca 0.41 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.34 3ib1 s GLU 444 Cb 0.11 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.15 3ib1 s GLU 444 CO -0.01 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.65 3ib1 n GLY 445 N 1.66 2.27 3.54 -1.39 0.00 -1.26 -5.05 105.19 104.96 3ib1 n GLY 445 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3ib1 n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ib1 s LEU 446 N 0.00 3.74 0.47 0.99 2.96 -1.10 -4.83 118.68 120.90 3ib1 s LEU 446 Ca 0.00 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3ib1 s LEU 446 Cb 0.00 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 3ib1 s LEU 446 CO 0.00 -1.43 0.04 0.42 -1.32 0.00 0.00 176.35 174.06 3ib1 s THR 447 N 4.61 1.61 0.59 3.68 -4.23 -1.26 -4.99 115.64 115.65 3ib1 s THR 447 Ca 0.35 -1.94 0.29 0.00 -1.18 0.00 0.00 61.69 59.21 3ib1 s THR 447 Cb -0.10 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.55 3ib1 s THR 447 CO 0.20 0.00 2.11 -0.25 -0.54 0.00 0.00 174.62 176.14 3ib1 h TRP 448 N 1.48 0.00 -0.00 3.99 2.91 -1.85 -1.57 115.95 120.90 3ib1 h TRP 448 Ca -0.43 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.59 3ib1 h TRP 448 Cb 1.28 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 3ib1 h TRP 448 CO 1.11 0.00 -0.11 0.09 -1.03 0.00 0.00 178.44 178.50 3ib1 n ASN 449 N -3.77 0.26 -2.52 2.65 3.02 -1.26 -4.03 115.26 109.60 3ib1 n ASN 449 Ca 0.01 -0.19 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 3ib1 n ASN 449 Cb 0.31 -0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.32 3ib1 n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ib1 n SER 450 N -1.22 3.42 0.00 6.41 3.41 -0.59 -4.77 113.62 120.28 3ib1 n SER 450 Ca 0.12 -3.28 0.12 0.00 -0.26 0.00 0.00 58.87 55.57 3ib1 n SER 450 Cb 0.29 -0.47 0.20 0.00 -0.26 0.00 0.00 64.21 63.96 3ib1 n SER 450 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ib1 n LEU 451 N -0.36 0.57 -4.77 1.04 4.77 -1.24 -4.66 117.00 112.35 3ib1 n LEU 451 Ca 0.27 -0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 3ib1 n LEU 451 Cb 0.75 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3ib1 n LEU 451 CO 0.30 0.13 1.20 -0.75 -1.33 0.00 0.00 177.39 176.94 3ib1 s LYS 452 N -3.01 4.10 0.00 3.23 2.47 -1.26 -2.51 119.74 122.76 3ib1 s LYS 452 Ca 0.10 2.59 0.00 0.00 -1.56 0.00 0.00 55.97 57.10 3ib1 s LYS 452 Cb 0.17 -2.99 0.00 0.00 -1.46 0.00 0.00 37.83 33.55 3ib1 s LYS 452 CO 0.72 -0.60 0.00 -0.25 0.16 0.00 0.00 175.35 175.39 3ib1 n ASP 453 N 1.28 -3.41 -4.61 1.43 9.92 -0.45 -4.94 116.55 115.76 3ib1 n ASP 453 Ca 0.05 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.07 3ib1 n ASP 453 Cb 0.38 -2.25 0.12 0.00 -0.64 0.00 0.00 41.12 38.74 3ib1 n ASP 453 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3ib1 s LYS 454 N -1.13 1.50 -0.12 -1.24 -0.14 -1.04 -3.90 119.74 113.67 3ib1 s LYS 454 Ca 0.00 -1.19 -0.05 0.00 -1.36 0.00 0.00 55.97 53.37 3ib1 s LYS 454 Cb 0.00 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 3ib1 s LYS 454 CO 0.00 -1.59 0.07 0.15 -0.76 0.00 0.00 175.35 173.23 3ib1 s LYS 455 N -5.21 3.41 0.11 1.68 1.02 -1.26 -1.33 119.74 118.15 3ib1 s LYS 455 Ca 0.68 -0.27 0.05 0.00 0.02 0.00 0.00 55.97 56.45 3ib1 s LYS 455 Cb -0.04 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 3ib1 s LYS 455 CO 0.45 0.64 -0.14 -1.54 -0.92 0.00 0.00 175.35 173.84 3ib1 s SER 456 N -0.65 1.86 -0.20 2.83 1.04 -0.64 0.14 113.70 118.06 3ib1 s SER 456 Ca 0.12 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.80 3ib1 s SER 456 Cb -0.12 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 65.99 3ib1 s SER 456 CO 0.02 -0.14 -0.14 0.00 0.98 0.00 0.00 173.24 173.97 3ib1 s HIS 458 N 1.31 2.46 0.06 0.00 3.76 -0.20 -1.91 115.29 120.77 3ib1 s HIS 458 Ca -0.01 -0.30 -0.30 0.00 -0.15 0.00 0.00 55.06 54.30 3ib1 s HIS 458 Cb -0.16 -1.29 -0.18 0.00 1.11 0.00 0.00 32.58 32.06 3ib1 s HIS 458 CO -0.09 0.41 1.52 1.79 -0.85 0.00 0.00 174.74 177.52 3ib1 h THR 459 N 3.47 0.42 -1.87 1.30 1.35 -1.71 -3.41 112.91 112.46 3ib1 h THR 459 Ca -0.49 -0.13 0.16 0.00 -0.55 0.00 0.00 66.41 65.39 3ib1 h THR 459 Cb 1.18 0.47 -0.18 0.00 -1.73 0.00 0.00 68.15 67.89 3ib1 h THR 459 CO 0.46 0.02 0.62 0.00 -0.25 0.00 0.00 175.52 176.37 3ib1 s ALA 460 N -5.75 -1.93 0.40 6.62 0.00 -1.26 -0.73 121.76 119.10 3ib1 s ALA 460 Ca -0.16 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 52.85 3ib1 s ALA 460 Cb 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 3ib1 s ALA 460 CO 0.59 -0.59 1.31 0.08 0.00 0.00 0.00 175.76 177.16 3ib1 s VAL 461 N -2.53 2.60 0.00 0.00 1.01 0.08 -3.21 120.40 118.36 3ib1 s VAL 461 Ca 0.06 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3ib1 s VAL 461 Cb -0.01 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3ib1 s VAL 461 CO -0.06 0.09 0.00 0.47 0.00 0.00 0.00 175.10 175.60 3ib1 n ASP 462 N 0.21 -1.72 -4.91 3.32 8.00 -1.26 -4.97 116.55 115.23 3ib1 n ASP 462 Ca 0.03 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.26 3ib1 n ASP 462 Cb 0.43 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3ib1 n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ib1 s ARG 463 N -0.26 3.50 0.01 -1.24 0.52 -1.20 -4.19 118.95 116.10 3ib1 s ARG 463 Ca 0.00 0.19 -0.09 0.00 -0.52 0.00 0.00 55.73 55.31 3ib1 s ARG 463 Cb 0.00 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 3ib1 s ARG 463 CO 0.00 -0.24 0.90 1.15 0.02 0.00 0.00 175.30 177.13 3ib1 h THR 464 N 0.19 0.00 -0.26 0.02 2.02 -1.92 0.27 112.91 113.22 3ib1 h THR 464 Ca -0.47 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 66.50 3ib1 h THR 464 Cb 1.21 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3ib1 h THR 464 CO 0.62 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 176.08 3ib1 h ALA 465 N -1.79 0.75 0.00 6.16 0.00 -1.91 -1.21 119.26 121.26 3ib1 h ALA 465 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ib1 h ALA 465 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ib1 h ALA 465 CO 0.05 0.66 -0.30 0.78 0.00 0.00 0.00 179.25 180.45 3ib1 h GLY 466 N 0.98 0.00 0.00 0.00 0.00 -1.69 -3.39 103.07 98.97 3ib1 h GLY 466 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3ib1 h GLY 466 CO 0.09 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.50 3ib1 n TRP 467 N -2.69 -1.04 -0.22 5.60 -0.00 -0.63 -4.04 117.44 114.43 3ib1 n TRP 467 Ca 0.03 0.18 0.01 0.00 -0.00 0.00 0.00 57.50 57.73 3ib1 n TRP 467 Cb 0.50 0.54 0.12 0.00 -0.00 0.00 0.00 31.31 32.47 3ib1 n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3ib1 h ASN 468 N 0.00 0.25 0.60 5.87 2.35 -0.51 -1.96 115.58 122.18 3ib1 h ASN 468 Ca 0.00 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3ib1 h ASN 468 Cb 0.00 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.43 3ib1 h ASN 468 CO 0.00 0.14 -0.29 0.40 -1.65 0.00 0.00 177.43 176.03 3ib1 h ILE 469 N 0.43 0.29 0.25 2.81 1.08 -1.44 -1.93 117.51 119.01 3ib1 h ILE 469 Ca 0.33 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 3ib1 h ILE 469 Cb 0.42 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 3ib1 h ILE 469 CO -0.32 0.03 -0.25 -0.65 -0.69 0.00 0.00 178.15 176.27 3ib1 h PRO 470 N -1.02 -0.51 -0.13 2.37 0.11 -1.74 -2.19 132.00 128.89 3ib1 h PRO 470 Ca -0.08 0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 3ib1 h PRO 470 Cb 0.67 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3ib1 h PRO 470 CO 0.14 -0.34 -0.35 0.52 -0.21 0.00 0.00 178.00 177.76 3ib1 h MET 471 N -0.53 0.26 -0.62 1.05 2.86 -1.48 -1.90 114.93 114.57 3ib1 h MET 471 Ca -0.01 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3ib1 h MET 471 Cb 0.49 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 3ib1 h MET 471 CO -0.06 0.58 0.37 0.78 1.06 0.00 0.00 176.91 179.64 3ib1 h GLY 472 N 1.12 0.88 1.65 8.32 0.00 -1.19 0.98 103.07 114.83 3ib1 h GLY 472 Ca 0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 3ib1 h GLY 472 CO 0.06 0.21 -0.36 1.41 0.00 0.00 0.00 176.54 177.85 3ib1 h LEU 473 N 0.71 0.41 0.20 3.11 3.38 -0.98 -2.42 115.31 119.73 3ib1 h LEU 473 Ca 0.26 -0.16 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 3ib1 h LEU 473 Cb 0.07 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 40.73 3ib1 h LEU 473 CO -0.12 0.74 -1.17 0.40 0.09 0.00 0.00 178.44 178.38 3ib1 h ILE 474 N 0.33 1.39 -0.78 1.22 2.04 -1.09 -0.93 117.51 119.70 3ib1 h ILE 474 Ca 0.04 -2.62 0.16 0.00 1.00 0.00 0.00 64.86 63.44 3ib1 h ILE 474 Cb 0.80 3.11 -0.10 0.00 -0.74 0.00 0.00 36.82 39.88 3ib1 h ILE 474 CO 0.06 0.77 0.29 0.58 0.00 0.00 0.00 178.15 179.85 3ib1 h VAL 475 N -0.08 0.59 -0.02 1.67 2.07 -0.84 -1.03 116.25 118.61 3ib1 h VAL 475 Ca -0.20 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3ib1 h VAL 475 Cb 1.92 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3ib1 h VAL 475 CO 0.22 0.07 0.01 0.78 0.02 0.00 0.00 177.57 178.67 3ib1 h ASN 476 N 0.39 0.03 0.98 0.57 4.21 -1.22 0.22 115.58 120.77 3ib1 h ASN 476 Ca 0.44 -0.17 -0.03 0.00 1.21 0.00 0.00 56.30 57.74 3ib1 h ASN 476 Cb 0.72 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.91 3ib1 h ASN 476 CO -0.45 0.19 -0.16 1.56 -1.29 0.00 0.00 177.43 177.28 3ib1 h GLN 477 N -0.14 0.00 0.00 0.81 4.20 -0.94 -3.00 115.11 116.05 3ib1 h GLN 477 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3ib1 h GLN 477 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3ib1 h GLN 477 CO -0.00 0.16 -1.37 2.41 -0.67 0.00 0.00 178.83 179.36 3ib1 n THR 478 N -3.31 0.11 -4.16 -0.54 -1.04 -0.41 -4.99 114.28 99.94 3ib1 n THR 478 Ca 0.00 -0.31 -0.31 0.00 -2.04 0.00 0.00 64.05 61.39 3ib1 n THR 478 Cb 0.40 0.25 -0.05 0.00 -1.82 0.00 0.00 70.33 69.11 3ib1 n THR 478 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ib1 n GLY 479 N 1.34 -0.27 3.13 3.41 0.00 0.76 -5.00 105.19 108.55 3ib1 n GLY 479 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3ib1 n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ib1 s SER 480 N -4.00 0.02 -0.05 1.61 0.15 -1.15 -5.01 113.70 105.27 3ib1 s SER 480 Ca 0.27 -0.22 0.10 0.00 0.70 0.00 0.00 55.95 56.79 3ib1 s SER 480 Cb -0.15 0.23 0.36 0.00 -1.71 0.00 0.00 66.02 64.75 3ib1 s SER 480 CO 0.94 -0.41 1.21 0.00 1.20 0.00 0.00 173.24 176.17 3ib1 n ALA 482 N 0.47 4.73 0.07 0.00 0.00 -1.26 -4.58 120.51 119.94 3ib1 n ALA 482 Ca 0.13 -1.12 0.04 0.00 0.00 0.00 0.00 53.44 52.49 3ib1 n ALA 482 Cb 0.49 -1.25 0.22 0.00 0.00 0.00 0.00 19.45 18.90 3ib1 n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3ib1 n PHE 483 N 0.70 0.27 1.23 0.00 -1.74 -1.26 -0.75 117.46 115.91 3ib1 n PHE 483 Ca 0.20 0.14 0.14 0.00 -0.56 0.00 0.00 57.45 57.37 3ib1 n PHE 483 Cb 0.56 -0.64 0.58 0.00 1.52 0.00 0.00 39.48 41.51 3ib1 n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 3ib1 n ASP 484 N -1.75 0.25 -0.28 5.98 5.75 -1.26 -3.72 116.55 121.53 3ib1 n ASP 484 Ca -0.01 -0.13 0.03 0.00 -0.01 0.00 0.00 54.79 54.67 3ib1 n ASP 484 Cb 0.12 -0.18 0.06 0.00 -1.03 0.00 0.00 41.12 40.08 3ib1 n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ib1 n GLU 485 N -1.26 1.99 0.04 0.11 1.02 0.07 -4.72 120.64 117.89 3ib1 n GLU 485 Ca 0.11 -1.48 -0.20 0.00 -0.02 0.00 0.00 57.16 55.57 3ib1 n GLU 485 Cb 0.30 -1.12 -0.14 0.00 -0.02 0.00 0.00 31.44 30.45 3ib1 n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3ib1 h PHE 486 N 0.99 0.52 -3.03 -0.32 3.57 -1.64 -3.46 116.94 113.57 3ib1 h PHE 486 Ca 0.00 -0.38 -0.54 0.00 3.53 0.00 0.00 57.97 60.58 3ib1 h PHE 486 Cb 0.49 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3ib1 h PHE 486 CO 0.08 1.33 -0.27 -0.06 -2.23 0.00 0.00 178.31 177.15 3ib1 s PHE 487 N -2.43 3.48 0.06 0.41 0.08 -1.26 -1.35 117.98 116.97 3ib1 s PHE 487 Ca -0.14 0.48 -0.19 0.00 0.12 0.00 0.00 56.93 57.20 3ib1 s PHE 487 Cb 0.01 -1.96 -0.12 0.00 -0.57 0.00 0.00 43.02 40.37 3ib1 s PHE 487 CO 0.82 0.34 1.38 0.66 -0.10 0.00 0.00 175.22 178.31 3ib1 h SER 488 N 2.15 0.47 -4.99 1.36 4.64 -1.32 -3.45 113.55 112.41 3ib1 h SER 488 Ca -0.47 -0.46 -0.11 0.00 -0.47 0.00 0.00 61.79 60.28 3ib1 h SER 488 Cb 1.18 -0.13 -0.20 0.00 -0.31 0.00 0.00 62.40 62.94 3ib1 h SER 488 CO 0.69 0.84 -0.19 -1.10 -0.87 0.00 0.00 176.83 176.20 3ib1 s GLN 489 N -4.37 0.74 0.30 4.77 -0.21 -1.25 -4.90 119.66 114.74 3ib1 s GLN 489 Ca -0.14 -0.11 0.05 0.00 0.02 0.00 0.00 55.36 55.18 3ib1 s GLN 489 Cb 0.06 0.33 -0.03 0.00 1.00 0.00 0.00 33.01 34.37 3ib1 s GLN 489 CO 0.77 -0.21 0.24 -1.12 -2.12 0.00 0.00 175.29 172.85 3ib1 s SER 490 N -1.31 1.33 -0.24 5.90 0.01 -0.61 -1.63 113.70 117.15 3ib1 s SER 490 Ca -0.13 -1.67 0.02 0.00 1.31 0.00 0.00 55.95 55.47 3ib1 s SER 490 Cb -0.04 0.51 0.06 0.00 0.21 0.00 0.00 66.02 66.76 3ib1 s SER 490 CO 0.05 -1.01 -0.07 0.00 0.41 0.00 0.00 173.24 172.63 3ib1 s ALA 492 N 1.29 2.63 0.15 0.00 0.00 -0.02 -1.03 121.76 124.78 3ib1 s ALA 492 Ca -0.07 -3.06 -0.33 0.00 0.00 0.00 0.00 51.96 48.50 3ib1 s ALA 492 Cb -0.19 -1.92 -0.17 0.00 0.00 0.00 0.00 23.12 20.84 3ib1 s ALA 492 CO -0.06 -2.05 1.02 -2.30 0.00 0.00 0.00 175.76 172.37 3ib1 n PRO 493 N 2.72 0.74 0.00 0.00 -0.02 -1.26 -2.53 135.00 134.65 3ib1 n PRO 493 Ca 0.19 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3ib1 n PRO 493 Cb 0.38 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3ib1 n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ib1 n GLY 494 N 1.88 0.58 3.97 -1.23 0.00 0.07 -0.74 105.19 109.72 3ib1 n GLY 494 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3ib1 n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ib1 s ALA 495 N -2.09 3.60 0.07 4.61 0.00 -1.05 -4.94 121.76 121.96 3ib1 s ALA 495 Ca 0.00 -1.42 -0.33 0.00 0.00 0.00 0.00 51.96 50.21 3ib1 s ALA 495 Cb 0.00 -2.17 -0.12 0.00 0.00 0.00 0.00 23.12 20.83 3ib1 s ALA 495 CO 0.00 -1.23 1.78 -3.47 0.00 0.00 0.00 175.76 172.84 3ib1 n ASP 496 N -2.72 3.60 0.14 0.00 -0.08 -1.26 -4.90 116.55 111.33 3ib1 n ASP 496 Ca 0.11 1.01 0.09 0.00 -1.51 0.00 0.00 54.79 54.49 3ib1 n ASP 496 Cb 0.60 -1.46 0.46 0.00 2.34 0.00 0.00 41.12 43.07 3ib1 n ASP 496 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3ib1 n PRO 497 N 5.40 0.11 -2.62 -0.67 -0.02 -1.26 -2.49 135.00 133.44 3ib1 n PRO 497 Ca 0.19 0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 62.20 3ib1 n PRO 497 Cb 0.33 -1.94 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3ib1 n PRO 497 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ib1 n LYS 498 N -2.11 2.21 -2.69 -0.52 4.76 -1.26 -4.74 118.16 113.81 3ib1 n LYS 498 Ca -0.01 -3.68 -0.22 0.00 -2.87 0.00 0.00 58.31 51.52 3ib1 n LYS 498 Cb 0.10 -1.78 0.09 0.00 -1.84 0.00 0.00 35.03 31.61 3ib1 n LYS 498 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ib1 s SER 499 N -3.73 4.58 0.11 4.39 1.04 -1.04 -5.00 113.70 114.05 3ib1 s SER 499 Ca 0.33 -0.45 0.27 0.00 0.48 0.00 0.00 55.95 56.59 3ib1 s SER 499 Cb 0.35 -0.01 1.00 0.00 0.10 0.00 0.00 66.02 67.46 3ib1 s SER 499 CO -0.02 -1.69 1.84 -2.11 0.98 0.00 0.00 173.24 172.23 3ib1 n ARG 500 N -2.66 0.14 0.00 4.02 1.85 -1.26 -3.44 116.66 115.31 3ib1 n ARG 500 Ca 0.15 0.11 0.07 0.00 -1.00 0.00 0.00 57.85 57.17 3ib1 n ARG 500 Cb 0.61 -1.66 0.40 0.00 -1.05 0.00 0.00 32.46 30.76 3ib1 n ARG 500 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3ib1 n LEU 501 N -1.90 0.00 0.00 2.89 4.77 -1.26 -1.58 117.00 119.92 3ib1 n LEU 501 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3ib1 n LEU 501 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3ib1 n LEU 501 CO 0.29 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.37 3ib1 h ALA 503 N 0.00 3.33 -0.01 0.00 0.00 -1.24 1.06 119.26 122.41 3ib1 h ALA 503 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ib1 h ALA 503 Cb 0.09 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ib1 h ALA 503 CO 0.00 -2.00 -0.57 1.28 0.00 0.00 0.00 179.25 177.96 3ib1 n LEU 504 N -3.58 1.16 -4.79 0.00 4.77 0.06 -4.95 117.00 109.65 3ib1 n LEU 504 Ca 0.32 -0.62 -0.35 0.00 -0.03 0.00 0.00 56.01 55.33 3ib1 n LEU 504 Cb 1.70 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.75 3ib1 n LEU 504 CO 0.33 0.25 0.73 0.00 -1.33 0.00 0.00 177.39 177.36 3ib1 n ALA 506 N -0.71 2.52 -0.34 0.00 0.00 -1.26 -4.83 120.51 115.90 3ib1 n ALA 506 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ib1 n ALA 506 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3ib1 n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ib1 n GLY 507 N 1.63 -0.98 3.99 0.00 0.00 -1.26 -4.78 105.19 103.78 3ib1 n GLY 507 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 3ib1 n GLY 507 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ib1 s ASP 508 N -4.00 4.45 0.18 1.61 -4.77 0.12 -2.68 116.67 111.58 3ib1 s ASP 508 Ca 0.00 -0.35 -0.27 0.00 -3.30 0.00 0.00 52.55 48.63 3ib1 s ASP 508 Cb 0.00 -0.08 0.03 0.00 -1.09 0.00 0.00 42.92 41.77 3ib1 s ASP 508 CO 0.00 -1.79 1.54 0.44 0.70 0.00 0.00 175.17 176.07 3ib1 h ASP 509 N -0.46 -1.94 0.00 2.11 5.19 -1.88 0.56 116.42 120.01 3ib1 h ASP 509 Ca -0.37 0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3ib1 h ASP 509 Cb 1.27 0.90 0.00 0.00 0.18 0.00 0.00 39.33 41.68 3ib1 h ASP 509 CO 0.41 -0.25 0.00 0.00 -3.12 0.00 0.00 179.24 176.28 3ib1 n GLN 510 N -5.32 0.43 -1.22 3.56 6.02 -1.26 -4.85 117.38 114.74 3ib1 n GLN 510 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.96 3ib1 n GLN 510 Cb 0.30 -1.04 -0.03 0.00 1.02 0.00 0.00 30.24 30.49 3ib1 n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ib1 n GLY 511 N -0.07 0.91 3.96 1.08 0.00 0.20 -5.01 105.19 106.26 3ib1 n GLY 511 Ca 0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 3ib1 n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ib1 s LEU 512 N -1.71 3.83 -1.66 0.99 1.43 -1.24 -4.50 118.68 115.82 3ib1 s LEU 512 Ca 0.00 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3ib1 s LEU 512 Cb 0.00 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3ib1 s LEU 512 CO 0.00 -0.53 0.00 0.47 0.23 0.00 0.00 176.35 176.52 3ib1 n ASP 513 N -1.87 -5.03 -4.47 2.29 8.00 -1.26 0.12 116.55 114.32 3ib1 n ASP 513 Ca -0.01 0.24 -0.54 0.00 0.71 0.00 0.00 54.79 55.19 3ib1 n ASP 513 Cb 0.57 -4.07 -0.08 0.00 -0.02 0.00 0.00 41.12 37.53 3ib1 n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ib1 n LYS 514 N -2.56 0.91 -1.47 -1.24 4.81 -1.26 -2.17 118.16 115.17 3ib1 n LYS 514 Ca -0.18 0.27 -0.06 0.00 -0.87 0.00 0.00 58.31 57.47 3ib1 n LYS 514 Cb 0.60 -2.21 -0.02 0.00 0.02 0.00 0.00 35.03 33.42 3ib1 n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ib1 s VAL 516 N -2.25 3.68 -1.18 0.00 -7.23 -0.92 -0.75 120.40 111.74 3ib1 s VAL 516 Ca 0.00 0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 61.03 3ib1 s VAL 516 Cb 0.00 -3.36 0.22 0.00 0.56 0.00 0.00 36.38 33.79 3ib1 s VAL 516 CO 0.00 -0.38 2.10 -0.81 -0.31 0.00 0.00 175.10 175.71 3ib1 n PRO 517 N -1.68 5.00 -4.05 4.82 -0.04 -1.26 -4.50 135.00 133.29 3ib1 n PRO 517 Ca 0.09 -4.06 -0.12 0.00 -0.04 0.00 0.00 63.50 59.37 3ib1 n PRO 517 Cb 0.52 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.38 3ib1 n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ib1 s ASN 518 N -0.47 0.46 0.00 3.54 2.20 -1.26 -4.52 114.94 114.88 3ib1 s ASN 518 Ca 0.46 -1.27 0.18 0.00 -0.94 0.00 0.00 52.86 51.29 3ib1 s ASN 518 Cb 0.18 0.62 1.06 0.00 -2.00 0.00 0.00 41.25 41.12 3ib1 s ASN 518 CO -0.11 -1.23 1.50 -1.54 -2.94 0.00 0.00 177.10 172.78 3ib1 n SER 519 N -0.96 0.00 -0.10 3.54 3.41 -1.26 -2.45 113.62 115.79 3ib1 n SER 519 Ca -0.00 -0.83 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 3ib1 n SER 519 Cb 0.62 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.64 3ib1 n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ib1 h LYS 520 N 0.00 0.83 -6.67 4.33 1.57 -1.94 -3.41 116.57 111.27 3ib1 h LYS 520 Ca 0.00 -0.34 -0.52 0.00 -1.87 0.00 0.00 60.65 57.92 3ib1 h LYS 520 Cb 0.00 -0.03 0.06 0.00 0.08 0.00 0.00 32.23 32.34 3ib1 h LYS 520 CO 0.00 0.97 0.99 -2.00 -0.57 0.00 0.00 179.45 178.84 3ib1 s GLU 521 N -4.61 4.13 0.30 3.15 2.56 -1.02 -3.39 118.70 119.82 3ib1 s GLU 521 Ca -0.10 2.59 0.03 0.00 0.00 0.00 0.00 54.97 57.49 3ib1 s GLU 521 Cb 0.13 -3.07 0.48 0.00 2.00 0.00 0.00 34.13 33.66 3ib1 s GLU 521 CO 0.84 -0.73 1.79 -0.22 -0.56 0.00 0.00 175.26 176.38 3ib1 h LYS 522 N 6.59 0.53 -0.56 4.30 3.64 -1.75 -3.02 116.57 126.31 3ib1 h LYS 522 Ca -0.43 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 58.62 3ib1 h LYS 522 Cb 1.20 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.87 3ib1 h LYS 522 CO 0.94 0.65 0.15 0.66 -2.27 0.00 0.00 179.45 179.58 3ib1 n TYR 523 N -4.19 1.83 -2.59 1.91 4.01 -1.26 -4.46 117.16 112.41 3ib1 n TYR 523 Ca 0.01 -1.24 -0.37 0.00 -0.16 0.00 0.00 57.90 56.13 3ib1 n TYR 523 Cb 0.33 -0.57 -0.05 0.00 -0.31 0.00 0.00 39.34 38.74 3ib1 n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3ib1 s TYR 524 N -3.03 3.44 0.08 -0.72 5.04 -1.14 -2.74 117.35 118.29 3ib1 s TYR 524 Ca 0.50 1.69 0.00 0.00 -2.44 0.00 0.00 57.07 56.82 3ib1 s TYR 524 Cb 0.41 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 39.61 3ib1 s TYR 524 CO 0.09 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.32 3ib1 n GLY 525 N 0.59 -1.99 0.08 8.97 0.00 0.09 -2.42 105.19 110.51 3ib1 n GLY 525 Ca 0.03 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 3ib1 n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ib1 h TYR 526 N -0.33 -0.07 -0.60 1.61 0.05 -1.93 -1.13 116.97 114.57 3ib1 h TYR 526 Ca 0.01 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 3ib1 h TYR 526 Cb 0.32 0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 3ib1 h TYR 526 CO 0.00 -0.05 0.21 1.15 -1.05 0.00 0.00 178.16 178.42 3ib1 h THR 527 N -0.01 1.24 -0.34 -2.88 2.02 -1.88 -2.43 112.91 108.62 3ib1 h THR 527 Ca 0.05 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.35 3ib1 h THR 527 Cb 0.09 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3ib1 h THR 527 CO -0.11 0.30 -0.17 1.23 0.37 0.00 0.00 175.52 177.14 3ib1 h GLY 528 N 0.84 0.78 1.44 2.16 0.00 -1.24 -0.91 103.07 106.14 3ib1 h GLY 528 Ca 0.20 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 3ib1 h GLY 528 CO -0.01 0.64 0.19 0.00 0.00 0.00 0.00 176.54 177.36 3ib1 h ALA 529 N 0.78 1.39 -0.04 3.60 0.00 -1.01 -1.48 119.26 122.51 3ib1 h ALA 529 Ca 0.07 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 3ib1 h ALA 529 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ib1 h ALA 529 CO 0.05 0.46 -0.85 0.35 0.00 0.00 0.00 179.25 179.26 3ib1 h PHE 530 N 0.72 0.62 0.00 0.00 3.57 -1.34 -2.75 116.94 117.75 3ib1 h PHE 530 Ca 0.17 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 3ib1 h PHE 530 Cb 0.16 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 3ib1 h PHE 530 CO 0.01 1.10 -0.09 -0.09 -2.23 0.00 0.00 178.31 177.01 3ib1 h ARG 531 N 0.27 0.00 -0.14 1.11 2.43 -0.75 0.41 114.38 117.71 3ib1 h ARG 531 Ca -0.06 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.93 3ib1 h ARG 531 Cb 1.46 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.01 3ib1 h ARG 531 CO 0.15 0.09 -0.66 0.00 -1.51 0.00 0.00 179.97 178.04 3ib1 h LEU 533 N 0.39 0.67 -1.32 0.00 5.85 -1.42 -0.73 115.31 118.74 3ib1 h LEU 533 Ca -0.02 -0.92 0.13 0.00 0.84 0.00 0.00 57.88 57.90 3ib1 h LEU 533 Cb 1.24 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 3ib1 h LEU 533 CO 0.12 1.70 0.55 0.00 -0.34 0.00 0.00 178.44 180.48 3ib1 h ALA 534 N 0.10 1.82 -0.45 1.25 0.00 -0.81 0.18 119.26 121.36 3ib1 h ALA 534 Ca -0.29 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ib1 h ALA 534 Cb 2.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3ib1 h ALA 534 CO 0.20 -0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.80 3ib1 n GLU 535 N -4.54 2.18 -2.01 0.00 1.02 -0.49 -4.90 120.64 111.92 3ib1 n GLU 535 Ca 0.16 -1.83 -0.12 0.00 -0.02 0.00 0.00 57.16 55.35 3ib1 n GLU 535 Cb 0.42 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 3ib1 n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ib1 n ASP 536 N 0.99 -4.09 0.02 1.62 8.00 0.62 -4.91 116.55 118.80 3ib1 n ASP 536 Ca 0.18 0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.57 3ib1 n ASP 536 Cb 0.45 -3.13 -0.13 0.00 -0.02 0.00 0.00 41.12 38.28 3ib1 n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ib1 h VAL 537 N 0.00 1.53 -1.81 2.53 2.07 -1.36 -3.47 116.25 115.73 3ib1 h VAL 537 Ca -0.29 -2.33 -0.46 0.00 0.82 0.00 0.00 66.70 64.44 3ib1 h VAL 537 Cb 1.11 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 3ib1 h VAL 537 CO 0.36 0.66 -0.38 -0.83 0.02 0.00 0.00 177.57 177.39 3ib1 s GLY 538 N -4.26 1.68 0.00 2.17 0.00 -0.71 -4.86 107.32 101.35 3ib1 s GLY 538 Ca -0.14 -1.55 0.12 0.00 0.00 0.00 0.00 44.72 43.15 3ib1 s GLY 538 CO 0.80 -1.46 0.81 -0.55 0.00 0.00 0.00 173.10 172.70 3ib1 h ASP 539 N 1.03 0.00 -5.05 1.64 3.32 -0.65 -3.42 116.42 113.29 3ib1 h ASP 539 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 3ib1 h ASP 539 Cb 1.26 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.63 3ib1 h ASP 539 CO 0.55 0.95 -0.39 0.54 -1.72 0.00 0.00 179.24 179.17 3ib1 s VAL 540 N -2.66 0.10 -0.03 -1.35 0.11 -1.05 -4.43 120.40 111.08 3ib1 s VAL 540 Ca -0.03 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.25 3ib1 s VAL 540 Cb 0.08 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 3ib1 s VAL 540 CO 0.82 -0.45 -0.16 0.00 -3.33 0.00 0.00 175.10 171.98 3ib1 s ALA 541 N -2.26 1.41 -0.46 1.54 0.00 -0.90 -0.68 121.76 120.41 3ib1 s ALA 541 Ca -0.07 -0.66 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 3ib1 s ALA 541 Cb -0.02 -0.43 0.12 0.00 0.00 0.00 0.00 23.12 22.78 3ib1 s ALA 541 CO -0.02 0.28 0.31 -0.06 0.00 0.00 0.00 175.76 176.27 3ib1 s PHE 542 N -0.09 3.49 0.00 0.00 0.08 -0.80 -0.71 117.98 119.94 3ib1 s PHE 542 Ca -0.00 -2.10 0.00 0.00 0.12 0.00 0.00 56.93 54.95 3ib1 s PHE 542 Cb -0.09 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 3ib1 s PHE 542 CO 0.01 -0.98 0.00 1.33 -0.10 0.00 0.00 175.22 175.48 3ib1 n VAL 543 N 4.73 0.00 -4.48 -0.44 0.24 -1.13 -3.77 118.33 113.48 3ib1 n VAL 543 Ca -0.05 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.01 3ib1 n VAL 543 Cb 0.41 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 3ib1 n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3ib1 s LYS 544 N 1.64 1.75 0.22 7.34 -2.85 -1.26 -1.53 119.74 125.05 3ib1 s LYS 544 Ca 0.00 -1.80 -0.09 0.00 -1.00 0.00 0.00 55.97 53.07 3ib1 s LYS 544 Cb 0.00 -1.77 0.34 0.00 -2.06 0.00 0.00 37.83 34.34 3ib1 s LYS 544 CO 0.00 0.28 1.67 -0.97 0.10 0.00 0.00 175.35 176.42 3ib1 h ASN 545 N 2.18 -0.19 -0.83 0.03 -1.24 -1.44 -2.08 115.58 112.01 3ib1 h ASN 545 Ca -0.41 0.15 0.11 0.00 0.71 0.00 0.00 56.30 56.87 3ib1 h ASN 545 Cb 1.26 0.25 -0.06 0.00 0.73 0.00 0.00 38.32 40.50 3ib1 h ASN 545 CO 0.63 -0.09 0.54 0.44 -1.29 0.00 0.00 177.43 177.66 3ib1 h ASP 546 N 0.16 0.66 -0.48 1.15 5.19 -1.97 -3.04 116.42 118.10 3ib1 h ASP 546 Ca 0.35 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 3ib1 h ASP 546 Cb 0.57 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 3ib1 h ASP 546 CO -0.52 0.37 0.26 0.74 -3.12 0.00 0.00 179.24 176.97 3ib1 h THR 547 N 0.71 1.17 -0.50 0.35 2.02 -1.78 -1.69 112.91 113.18 3ib1 h THR 547 Ca 0.40 -0.43 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3ib1 h THR 547 Cb 0.55 0.58 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 3ib1 h THR 547 CO -0.16 0.18 -0.01 0.58 0.37 0.00 0.00 175.52 176.47 3ib1 h VAL 548 N 0.63 0.59 -0.46 3.16 2.07 -1.65 -2.80 116.25 117.80 3ib1 h VAL 548 Ca 0.17 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 3ib1 h VAL 548 Cb 0.05 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3ib1 h VAL 548 CO -0.03 0.02 0.09 -0.50 0.02 0.00 0.00 177.57 177.17 3ib1 h TRP 549 N 0.10 0.79 0.00 1.57 4.06 -1.52 -2.74 115.95 118.21 3ib1 h TRP 549 Ca 0.25 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 61.10 3ib1 h TRP 549 Cb 0.38 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3ib1 h TRP 549 CO -0.33 0.73 0.00 0.93 -3.56 0.00 0.00 178.44 176.21 3ib1 h GLU 550 N 0.61 0.00 0.00 0.49 5.08 -1.14 -3.10 114.58 116.53 3ib1 h GLU 550 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ib1 h GLU 550 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ib1 h GLU 550 CO 0.01 0.00 -0.08 0.09 -1.00 0.00 0.00 179.01 178.02 3ib1 n ASN 551 N -2.45 1.78 -4.46 1.42 3.02 -1.07 -3.41 115.26 110.09 3ib1 n ASN 551 Ca 0.02 -2.62 -0.23 0.00 -0.03 0.00 0.00 54.58 51.72 3ib1 n ASN 551 Cb 0.26 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 3ib1 n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ib1 s THR 552 N -1.93 2.34 -0.95 3.41 -4.23 -1.04 -4.75 115.64 108.49 3ib1 s THR 552 Ca 0.19 -2.35 -0.06 0.00 -1.18 0.00 0.00 61.69 58.30 3ib1 s THR 552 Cb 0.17 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.70 3ib1 s THR 552 CO 0.02 -0.40 0.75 0.59 -0.54 0.00 0.00 174.62 175.04 3ib1 n ASN 553 N -0.61 -4.96 0.00 3.99 4.13 0.17 -1.73 115.26 116.25 3ib1 n ASN 553 Ca -0.05 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.86 3ib1 n ASN 553 Cb 0.61 -3.60 0.00 0.00 -1.54 0.00 0.00 39.78 35.25 3ib1 n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ib1 n GLY 554 N -1.50 0.36 0.22 7.41 0.00 -1.26 -4.89 105.19 105.53 3ib1 n GLY 554 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3ib1 n GLY 554 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ib1 h GLU 555 N 0.90 0.00 -4.89 1.61 4.57 -1.60 -3.42 114.58 111.75 3ib1 h GLU 555 Ca 0.00 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.61 3ib1 h GLU 555 Cb 0.31 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 28.57 3ib1 h GLU 555 CO 0.00 0.27 -0.84 0.45 -1.18 0.00 0.00 179.01 177.71 3ib1 s SER 556 N -6.40 2.24 0.00 1.04 0.15 -1.22 -4.86 113.70 104.64 3ib1 s SER 556 Ca -0.01 -0.39 0.15 0.00 0.70 0.00 0.00 55.95 56.40 3ib1 s SER 556 Cb 0.12 -0.98 0.67 0.00 -1.71 0.00 0.00 66.02 64.12 3ib1 s SER 556 CO 0.65 0.09 1.47 0.35 1.20 0.00 0.00 173.24 177.00 3ib1 n THR 557 N 3.64 0.17 -2.57 6.45 -2.24 -1.26 -4.00 114.28 114.47 3ib1 n THR 557 Ca -0.21 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 60.99 3ib1 n THR 557 Cb 0.52 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 3ib1 n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ib1 s ALA 558 N -1.83 3.02 0.20 6.98 0.00 -1.26 -4.80 121.76 124.07 3ib1 s ALA 558 Ca 0.25 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.69 3ib1 s ALA 558 Cb 0.13 -3.25 0.20 0.00 0.00 0.00 0.00 23.12 20.19 3ib1 s ALA 558 CO 0.19 -0.21 1.61 -0.44 0.00 0.00 0.00 175.76 176.91 3ib1 h ASP 559 N 2.17 -0.79 1.05 0.00 5.19 -2.01 0.21 116.42 122.25 3ib1 h ASP 559 Ca -0.49 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 3ib1 h ASP 559 Cb 1.21 0.46 0.00 0.00 0.18 0.00 0.00 39.33 41.18 3ib1 h ASP 559 CO 0.61 -0.25 0.00 -2.67 -3.12 0.00 0.00 179.24 173.81 3ib1 n TRP 560 N -5.44 0.82 0.00 4.55 4.27 -1.26 -4.09 117.44 116.29 3ib1 n TRP 560 Ca 0.06 0.28 0.00 0.00 -3.89 0.00 0.00 57.50 53.95 3ib1 n TRP 560 Cb 0.34 -0.95 0.00 0.00 -1.36 0.00 0.00 31.31 29.34 3ib1 n TRP 560 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3ib1 n ALA 561 N -1.76 1.49 0.31 -1.67 0.00 -0.83 -4.75 120.51 113.30 3ib1 n ALA 561 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.68 3ib1 n ALA 561 Cb 0.32 0.00 0.97 0.00 0.00 0.00 0.00 19.45 20.74 3ib1 n ALA 561 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3ib1 h LYS 562 N 0.00 0.00 -0.55 0.00 2.10 -0.73 -0.75 116.57 116.64 3ib1 h LYS 562 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ib1 h LYS 562 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3ib1 h LYS 562 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3ib1 n ASN 563 N -3.05 4.68 -4.85 7.07 3.02 -1.26 -4.25 115.26 116.62 3ib1 n ASN 563 Ca -0.01 -2.59 -0.34 0.00 -0.03 0.00 0.00 54.58 51.61 3ib1 n ASN 563 Cb 0.17 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.72 3ib1 n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ib1 s LEU 564 N -2.09 4.23 -0.03 3.41 1.43 -0.29 -4.98 118.68 120.36 3ib1 s LEU 564 Ca 0.48 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.76 3ib1 s LEU 564 Cb 0.33 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.93 3ib1 s LEU 564 CO 0.20 -0.03 -0.02 -0.75 0.23 0.00 0.00 176.35 175.98 3ib1 s LYS 565 N -2.42 0.48 0.29 1.70 2.20 -1.26 0.44 119.74 121.17 3ib1 s LYS 565 Ca 0.45 -0.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 3ib1 s LYS 565 Cb -0.13 -0.58 0.71 0.00 -1.51 0.00 0.00 37.83 36.32 3ib1 s LYS 565 CO 0.20 -0.10 1.65 0.00 -0.36 0.00 0.00 175.35 176.73 3ib1 h ARG 566 N 7.13 0.20 0.00 4.03 3.08 -1.93 -1.00 114.38 125.89 3ib1 h ARG 566 Ca -0.41 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3ib1 h ARG 566 Cb 1.14 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3ib1 h ARG 566 CO 0.48 0.13 0.00 1.49 -1.07 0.00 0.00 179.97 181.00 3ib1 h GLU 567 N 0.21 0.00 0.00 0.04 4.22 -2.02 -2.62 114.58 114.40 3ib1 h GLU 567 Ca 0.55 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.99 3ib1 h GLU 567 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3ib1 h GLU 567 CO -0.66 0.00 0.00 -0.25 -2.18 0.00 0.00 179.01 175.92 3ib1 n ASP 568 N -2.36 0.00 -4.42 1.04 8.00 -0.38 -4.82 116.55 113.61 3ib1 n ASP 568 Ca 0.00 -0.97 -0.26 0.00 0.71 0.00 0.00 54.79 54.27 3ib1 n ASP 568 Cb 0.14 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.12 3ib1 n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ib1 s PHE 569 N -2.00 2.26 0.10 1.24 0.08 -0.99 0.83 117.98 119.50 3ib1 s PHE 569 Ca 0.44 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 57.18 3ib1 s PHE 569 Cb 0.20 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.53 3ib1 s PHE 569 CO 0.34 0.53 -0.13 1.03 -0.10 0.00 0.00 175.22 176.89 3ib1 s ARG 570 N -2.85 0.90 0.04 0.44 1.81 0.24 -4.55 118.95 114.99 3ib1 s ARG 570 Ca 0.22 -1.13 -0.16 0.00 -1.72 0.00 0.00 55.73 52.94 3ib1 s ARG 570 Cb -0.07 -0.76 -0.06 0.00 -0.45 0.00 0.00 34.95 33.61 3ib1 s ARG 570 CO 0.11 0.15 0.48 -0.51 -0.68 0.00 0.00 175.30 174.84 3ib1 s LEU 571 N -2.23 4.48 -0.18 2.53 1.43 -0.13 -1.21 118.68 123.37 3ib1 s LEU 571 Ca 0.04 1.08 -0.17 0.00 -1.03 0.00 0.00 54.13 54.05 3ib1 s LEU 571 Cb -0.06 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 3ib1 s LEU 571 CO 0.02 0.28 0.47 -0.76 0.23 0.00 0.00 176.35 176.59 3ib1 s LEU 572 N -1.20 4.18 0.26 1.79 1.43 -0.58 -1.99 118.68 122.58 3ib1 s LEU 572 Ca 0.27 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 3ib1 s LEU 572 Cb -0.17 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 3ib1 s LEU 572 CO 0.16 -0.11 0.43 0.00 0.23 0.00 0.00 176.35 177.07 3ib1 n LEU 574 N -1.31 0.00 -0.82 0.00 4.77 -1.26 -2.72 117.00 115.66 3ib1 n LEU 574 Ca -0.06 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.39 3ib1 n LEU 574 Cb 0.56 -0.41 0.19 0.00 -2.33 0.00 0.00 43.42 41.43 3ib1 n LEU 574 CO 0.47 -0.10 0.66 -0.90 -1.33 0.00 0.00 177.39 176.20 3ib1 n ASP 575 N -1.41 2.36 0.00 -1.43 5.75 -1.26 -4.91 116.55 115.65 3ib1 n ASP 575 Ca 0.08 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3ib1 n ASP 575 Cb 0.23 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3ib1 n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ib1 n GLY 576 N 1.16 0.76 3.87 6.12 0.00 -1.10 -5.08 105.19 110.91 3ib1 n GLY 576 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3ib1 n GLY 576 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ib1 s THR 577 N -2.15 1.58 0.02 2.61 -4.23 -1.26 -4.74 115.64 107.46 3ib1 s THR 577 Ca 0.00 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3ib1 s THR 577 Cb 0.00 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 3ib1 s THR 577 CO 0.00 0.00 -0.07 -0.13 -0.54 0.00 0.00 174.62 173.88 3ib1 s ARG 578 N -4.17 0.54 0.06 3.99 0.52 -1.26 -1.59 118.95 117.03 3ib1 s ARG 578 Ca 0.28 -0.48 -0.06 0.00 -0.52 0.00 0.00 55.73 54.95 3ib1 s ARG 578 Cb -0.01 -0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.01 3ib1 s ARG 578 CO 0.17 0.11 0.10 0.15 0.02 0.00 0.00 175.30 175.85 3ib1 s LYS 579 N -0.81 0.71 0.98 3.54 1.02 -0.84 -4.95 119.74 119.39 3ib1 s LYS 579 Ca -0.03 -0.97 -0.11 0.00 0.02 0.00 0.00 55.97 54.88 3ib1 s LYS 579 Cb -0.06 0.28 0.14 0.00 -0.52 0.00 0.00 37.83 37.67 3ib1 s LYS 579 CO 0.00 -0.19 0.91 -2.30 -0.92 0.00 0.00 175.35 172.85 3ib1 n PRO 580 N 0.22 -0.80 0.00 -1.68 -0.02 -1.26 -0.95 135.00 130.51 3ib1 n PRO 580 Ca -0.16 -0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.25 3ib1 n PRO 580 Cb 0.61 -2.20 0.62 0.00 -0.02 0.00 0.00 33.50 32.51 3ib1 n PRO 580 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3ib1 n VAL 581 N -4.24 0.00 0.53 -1.45 0.24 -1.26 -1.98 118.33 110.16 3ib1 n VAL 581 Ca 0.09 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 3ib1 n VAL 581 Cb 0.53 -0.59 0.33 0.00 -1.47 0.00 0.00 33.84 32.65 3ib1 n VAL 581 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3ib1 h THR 582 N 0.00 0.00 -0.96 3.34 1.35 -1.97 -3.33 112.91 111.34 3ib1 h THR 582 Ca 0.00 -0.60 -0.50 0.00 -0.55 0.00 0.00 66.41 64.76 3ib1 h THR 582 Cb 0.00 1.56 -0.30 0.00 -1.73 0.00 0.00 68.15 67.68 3ib1 h THR 582 CO 0.00 0.00 0.64 -0.62 -0.25 0.00 0.00 175.52 175.29 3ib1 n GLU 583 N -2.44 2.22 0.28 4.72 -0.58 -0.84 -4.62 120.64 119.39 3ib1 n GLU 583 Ca 0.05 -2.90 0.15 0.00 -0.42 0.00 0.00 57.16 54.04 3ib1 n GLU 583 Cb 0.45 -2.14 0.85 0.00 -0.57 0.00 0.00 31.44 30.04 3ib1 n GLU 583 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ib1 h ALA 584 N 1.08 1.37 0.00 0.62 0.00 -1.79 -1.50 119.26 119.03 3ib1 h ALA 584 Ca 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3ib1 h ALA 584 Cb 2.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.51 3ib1 h ALA 584 CO 1.08 0.07 0.00 0.37 0.00 0.00 0.00 179.25 180.77 3ib1 h GLN 585 N 0.00 0.00 0.00 0.00 5.75 -1.93 -2.92 115.11 116.01 3ib1 h GLN 585 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3ib1 h GLN 585 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3ib1 h GLN 585 CO 0.01 0.00 -0.00 -1.13 -2.65 0.00 0.00 178.83 175.06 3ib1 n SER 586 N -2.40 1.52 -3.05 -0.69 3.41 -0.62 -4.80 113.62 107.00 3ib1 n SER 586 Ca 0.03 -1.78 -0.15 0.00 -0.26 0.00 0.00 58.87 56.71 3ib1 n SER 586 Cb 0.29 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3ib1 n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ib1 s HIS 588 N -1.58 2.49 -0.15 0.00 -0.00 -1.22 -4.72 115.29 110.10 3ib1 s HIS 588 Ca 0.34 -0.46 0.17 0.00 -0.00 0.00 0.00 55.06 55.12 3ib1 s HIS 588 Cb 0.33 -1.43 -0.06 0.00 -0.00 0.00 0.00 32.58 31.41 3ib1 s HIS 588 CO -0.07 0.53 1.03 -0.07 -0.00 0.00 0.00 174.74 176.15 3ib1 h LEU 589 N 1.90 0.00 0.00 5.38 3.38 -0.84 -3.44 115.31 121.69 3ib1 h LEU 589 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3ib1 h LEU 589 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ib1 h LEU 589 CO 0.68 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.70 3ib1 n ALA 590 N -2.32 0.00 -2.88 1.53 0.00 -1.23 -5.02 120.51 110.59 3ib1 n ALA 590 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 3ib1 n ALA 590 Cb 0.78 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 3ib1 n ALA 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ib1 s VAL 591 N -2.00 5.42 0.00 0.00 0.11 -1.26 -0.93 120.40 121.74 3ib1 s VAL 591 Ca 0.00 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.04 3ib1 s VAL 591 Cb 0.00 -3.53 -0.02 0.00 -1.53 0.00 0.00 36.38 31.30 3ib1 s VAL 591 CO 0.00 0.35 -0.19 0.00 -3.33 0.00 0.00 175.10 171.93 3ib1 s ALA 592 N -1.30 1.61 0.30 1.54 0.00 0.20 -4.94 121.76 119.17 3ib1 s ALA 592 Ca 0.26 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 3ib1 s ALA 592 Cb -0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 23.12 22.51 3ib1 s ALA 592 CO 0.17 0.38 1.43 -2.14 0.00 0.00 0.00 175.76 175.60 3ib1 s PRO 593 N -0.66 4.25 0.44 0.00 0.02 -1.26 -1.06 135.00 136.72 3ib1 s PRO 593 Ca 0.07 2.36 -0.26 0.00 0.02 0.00 0.00 61.00 63.20 3ib1 s PRO 593 Cb -0.08 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.29 3ib1 s PRO 593 CO -0.00 -0.40 1.44 0.09 -0.33 0.00 0.00 177.00 177.80 3ib1 n ASN 594 N 1.56 3.37 -4.56 2.53 3.02 -1.26 -4.49 115.26 115.42 3ib1 n ASN 594 Ca 0.04 1.13 -0.41 0.00 -0.03 0.00 0.00 54.58 55.31 3ib1 n ASN 594 Cb 0.40 -1.60 0.02 0.00 -0.61 0.00 0.00 39.78 37.98 3ib1 n ASN 594 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ib1 n HIS 595 N -0.14 0.62 -4.02 3.10 8.25 -1.26 -4.73 115.22 117.04 3ib1 n HIS 595 Ca 0.05 0.56 -0.08 0.00 -0.26 0.00 0.00 57.72 57.98 3ib1 n HIS 595 Cb 0.41 -2.14 -0.10 0.00 1.12 0.00 0.00 29.99 29.27 3ib1 n HIS 595 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ib1 s ALA 596 N -1.37 0.26 -0.10 -1.41 0.00 -0.99 -1.83 121.76 116.33 3ib1 s ALA 596 Ca 0.65 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 3ib1 s ALA 596 Cb -0.55 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3ib1 s ALA 596 CO 0.56 -0.27 0.82 0.08 0.00 0.00 0.00 175.76 176.95 3ib1 s VAL 597 N -2.67 4.93 0.14 0.00 1.01 -0.19 -0.45 120.40 123.17 3ib1 s VAL 597 Ca -0.05 1.66 0.09 0.00 0.00 0.00 0.00 61.98 63.68 3ib1 s VAL 597 Cb -0.01 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3ib1 s VAL 597 CO -0.05 0.13 -0.16 0.68 0.00 0.00 0.00 175.10 175.69 3ib1 s VAL 598 N 1.48 2.92 0.31 2.92 -7.23 -0.44 -0.42 120.40 119.93 3ib1 s VAL 598 Ca 0.41 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3ib1 s VAL 598 Cb -0.18 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 3ib1 s VAL 598 CO 0.17 0.02 0.35 -0.94 -0.31 0.00 0.00 175.10 174.40 3ib1 s SER 599 N -2.39 0.96 0.22 4.85 1.04 -0.79 -2.78 113.70 114.81 3ib1 s SER 599 Ca 0.20 -1.52 -0.30 0.00 0.48 0.00 0.00 55.95 54.82 3ib1 s SER 599 Cb -0.10 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.50 3ib1 s SER 599 CO 0.12 -1.13 1.36 -0.60 0.98 0.00 0.00 173.24 173.97 3ib1 s ARG 600 N -3.44 4.34 0.47 4.02 3.52 -1.26 -1.02 118.95 125.57 3ib1 s ARG 600 Ca 0.35 2.15 0.16 0.00 -0.13 0.00 0.00 55.73 58.26 3ib1 s ARG 600 Cb 0.02 -3.16 1.15 0.00 -1.56 0.00 0.00 34.95 31.39 3ib1 s ARG 600 CO 0.20 -0.32 2.02 0.66 -0.81 0.00 0.00 175.30 177.05 3ib1 h SER 601 N 5.29 0.22 0.11 -2.12 4.64 -1.91 0.15 113.55 119.94 3ib1 h SER 601 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ib1 h SER 601 Cb 1.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ib1 h SER 601 CO 0.78 0.14 0.00 -0.90 -0.87 0.00 0.00 176.83 175.98 3ib1 n ASP 602 N -4.46 0.05 -0.04 4.97 5.75 -1.26 -2.57 116.55 118.99 3ib1 n ASP 602 Ca 0.07 0.52 0.01 0.00 -0.01 0.00 0.00 54.79 55.38 3ib1 n ASP 602 Cb 0.36 -0.53 -0.00 0.00 -1.03 0.00 0.00 41.12 39.92 3ib1 n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ib1 n ARG 603 N -1.56 3.14 -0.37 0.11 5.12 0.50 -4.79 116.66 118.80 3ib1 n ARG 603 Ca 0.01 -0.29 -0.01 0.00 -1.93 0.00 0.00 57.85 55.63 3ib1 n ARG 603 Cb 0.04 -0.79 0.12 0.00 -1.16 0.00 0.00 32.46 30.67 3ib1 n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ib1 h ALA 604 N 0.33 1.28 -0.19 7.54 0.00 -1.16 -1.58 119.26 125.48 3ib1 h ALA 604 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3ib1 h ALA 604 Cb 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3ib1 h ALA 604 CO 0.00 0.59 -0.64 0.00 0.00 0.00 0.00 179.25 179.20 3ib1 h ALA 605 N 1.38 0.50 -0.27 0.00 0.00 -1.87 -1.81 119.26 117.19 3ib1 h ALA 605 Ca 0.38 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3ib1 h ALA 605 Cb -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ib1 h ALA 605 CO -0.10 0.70 -0.17 1.25 0.00 0.00 0.00 179.25 180.93 3ib1 h HIS 606 N 0.51 0.70 -0.64 0.00 6.17 -1.76 -1.85 115.15 118.28 3ib1 h HIS 606 Ca -0.01 -0.18 -0.01 0.00 0.71 0.00 0.00 60.37 60.87 3ib1 h HIS 606 Cb 1.24 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.98 3ib1 h HIS 606 CO 0.07 0.86 0.36 0.28 0.71 0.00 0.00 177.93 180.21 3ib1 h VAL 607 N 0.33 1.20 0.01 5.26 2.07 -1.31 -2.66 116.25 121.16 3ib1 h VAL 607 Ca 0.06 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3ib1 h VAL 607 Cb 0.70 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3ib1 h VAL 607 CO 0.05 0.21 -0.00 -0.08 0.02 0.00 0.00 177.57 177.77 3ib1 h GLU 608 N 0.87 -0.01 -0.36 1.57 4.81 -1.22 -2.35 114.58 117.89 3ib1 h GLU 608 Ca 0.23 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 3ib1 h GLU 608 Cb 0.02 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 3ib1 h GLU 608 CO -0.04 0.10 -0.34 0.37 -0.73 0.00 0.00 179.01 178.38 3ib1 h GLN 609 N -0.13 -0.28 -0.11 1.92 4.15 -1.31 -2.41 115.11 116.94 3ib1 h GLN 609 Ca -0.00 0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 3ib1 h GLN 609 Cb 0.12 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3ib1 h GLN 609 CO 0.00 -0.18 -0.56 0.28 -1.93 0.00 0.00 178.83 176.44 3ib1 h VAL 610 N -0.29 1.36 -0.09 2.39 2.07 -1.31 -3.19 116.25 117.18 3ib1 h VAL 610 Ca 0.16 -1.86 -0.19 0.00 0.82 0.00 0.00 66.70 65.63 3ib1 h VAL 610 Cb 0.55 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3ib1 h VAL 610 CO -0.52 0.56 -0.73 0.25 0.02 0.00 0.00 177.57 177.15 3ib1 h LEU 611 N 0.26 0.55 -1.47 2.57 5.85 -1.21 -0.50 115.31 121.36 3ib1 h LEU 611 Ca 0.00 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3ib1 h LEU 611 Cb 1.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3ib1 h LEU 611 CO 0.09 1.10 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.21 3ib1 h LEU 612 N 0.32 0.30 -0.28 2.25 3.38 -1.43 0.12 115.31 119.96 3ib1 h LEU 612 Ca -0.03 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 3ib1 h LEU 612 Cb 1.31 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3ib1 h LEU 612 CO 0.13 0.37 -0.88 -0.74 0.09 0.00 0.00 178.44 177.41 3ib1 h HIS 613 N 0.32 0.16 -0.28 1.13 2.76 -1.53 -3.01 115.15 114.71 3ib1 h HIS 613 Ca 0.07 -0.09 -0.18 0.00 -2.20 0.00 0.00 60.37 57.97 3ib1 h HIS 613 Cb 0.24 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3ib1 h HIS 613 CO 0.01 0.93 -0.53 1.96 -1.30 0.00 0.00 177.93 178.99 3ib1 h GLN 614 N 0.06 0.84 0.00 5.26 1.08 0.15 -2.97 115.11 119.53 3ib1 h GLN 614 Ca -0.03 -0.52 -0.04 0.00 -1.45 0.00 0.00 58.65 56.61 3ib1 h GLN 614 Cb 1.52 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 29.00 3ib1 h GLN 614 CO 0.13 1.16 -0.19 -0.56 -0.95 0.00 0.00 178.83 178.41 3ib1 h GLN 615 N 0.65 0.00 0.00 1.46 3.07 -0.91 -0.44 115.11 118.93 3ib1 h GLN 615 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.74 3ib1 h GLN 615 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.69 3ib1 h GLN 615 CO 0.12 0.19 -0.07 0.00 0.09 0.00 0.00 178.83 179.16 3ib1 h ALA 616 N 1.81 1.22 0.01 0.06 0.00 -1.37 0.39 119.26 121.37 3ib1 h ALA 616 Ca -0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 54.91 54.46 3ib1 h ALA 616 Cb 0.46 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 3ib1 h ALA 616 CO 0.03 0.09 -2.39 1.28 0.00 0.00 0.00 179.25 178.26 3ib1 n LEU 617 N -3.49 1.84 0.00 0.00 4.77 -0.74 -2.76 117.00 116.62 3ib1 n LEU 617 Ca -0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3ib1 n LEU 617 Cb 0.21 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3ib1 n LEU 617 CO 0.28 0.76 0.29 0.49 -1.33 0.00 0.00 177.39 177.88 3ib1 n PHE 618 N -3.09 0.00 -0.62 -1.77 3.72 -0.25 -0.73 117.46 114.73 3ib1 n PHE 618 Ca -0.40 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 3ib1 n PHE 618 Cb 1.06 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 3ib1 n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ib1 n GLY 619 N -0.11 -1.28 0.40 1.37 0.00 0.12 -1.51 105.19 104.19 3ib1 n GLY 619 Ca 0.00 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.60 3ib1 n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ib1 h LYS 620 N 0.00 0.30 -0.96 1.61 3.64 -1.81 -2.22 116.57 117.13 3ib1 h LYS 620 Ca 0.00 -0.02 -0.43 0.00 -1.27 0.00 0.00 60.65 58.93 3ib1 h LYS 620 Cb 0.00 -0.07 -0.41 0.00 -0.41 0.00 0.00 32.23 31.34 3ib1 h LYS 620 CO 0.00 0.20 -0.98 0.09 -2.27 0.00 0.00 179.45 176.49 3ib1 n ASN 621 N -4.45 3.01 -4.85 4.20 3.02 -1.26 -4.94 115.26 109.98 3ib1 n ASN 621 Ca 0.17 -3.02 -0.31 0.00 -0.03 0.00 0.00 54.58 51.38 3ib1 n ASN 621 Cb 0.67 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3ib1 n ASN 621 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ib1 s GLY 622 N -3.48 2.01 0.23 7.41 0.00 -0.84 -4.91 107.32 107.75 3ib1 s GLY 622 Ca 0.37 0.05 0.12 0.00 0.00 0.00 0.00 44.72 45.26 3ib1 s GLY 622 CO -0.04 0.29 0.99 0.28 0.00 0.00 0.00 173.10 174.62 3ib1 n LYS 623 N -1.52 -0.04 -0.03 2.90 4.01 -1.11 -1.54 118.16 120.83 3ib1 n LYS 623 Ca 0.05 0.87 0.02 0.00 -0.51 0.00 0.00 58.31 58.73 3ib1 n LYS 623 Cb 0.54 -1.54 0.02 0.00 -0.51 0.00 0.00 35.03 33.54 3ib1 n LYS 623 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3ib1 n ASN 624 N -4.44 1.72 -4.18 4.39 3.02 0.10 -4.86 115.26 111.00 3ib1 n ASN 624 Ca 0.23 -2.04 -0.29 0.00 -0.03 0.00 0.00 54.58 52.45 3ib1 n ASN 624 Cb 0.78 -0.08 -0.16 0.00 -0.61 0.00 0.00 39.78 39.71 3ib1 n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ib1 n PRO 626 N 3.22 2.20 0.25 0.00 -0.04 -1.26 -3.92 135.00 135.45 3ib1 n PRO 626 Ca -0.19 -2.88 -0.11 0.00 -0.04 0.00 0.00 63.50 60.29 3ib1 n PRO 626 Cb 0.52 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 3ib1 n PRO 626 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ib1 h ASP 627 N 0.97 -0.58 0.00 3.54 3.32 -1.83 -3.42 116.42 118.42 3ib1 h ASP 627 Ca 0.61 0.02 -0.35 0.00 0.02 0.00 0.00 57.03 57.33 3ib1 h ASP 627 Cb 2.77 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 42.42 3ib1 h ASP 627 CO 1.07 -0.17 -2.15 0.29 -1.72 0.00 0.00 179.24 176.56 3ib1 n LYS 628 N -5.23 0.52 -3.69 3.56 5.02 0.14 -5.06 118.16 113.43 3ib1 n LYS 628 Ca -0.09 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.30 3ib1 n LYS 628 Cb 0.27 -1.39 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 3ib1 n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ib1 s PHE 629 N -2.53 -0.61 -0.21 2.13 5.36 -0.46 -5.03 117.98 116.64 3ib1 s PHE 629 Ca -0.34 1.49 0.02 0.00 -0.96 0.00 0.00 56.93 57.13 3ib1 s PHE 629 Cb 0.12 0.21 0.03 0.00 -0.34 0.00 0.00 43.02 43.05 3ib1 s PHE 629 CO 0.43 -0.30 -0.16 0.00 -1.46 0.00 0.00 175.22 173.74 3ib1 h LEU 631 N 7.89 0.99 -4.18 0.00 5.85 -1.60 -3.13 115.31 121.13 3ib1 h LEU 631 Ca -0.36 -0.01 -0.66 0.00 0.84 0.00 0.00 57.88 57.68 3ib1 h LEU 631 Cb 1.10 -0.23 -0.27 0.00 0.37 0.00 0.00 40.66 41.63 3ib1 h LEU 631 CO 0.58 0.69 0.86 0.49 -0.34 0.00 0.00 178.44 180.72 3ib1 n PHE 632 N -4.50 2.98 -3.63 1.25 3.72 -1.26 -4.71 117.46 111.30 3ib1 n PHE 632 Ca 0.11 -2.76 -0.11 0.00 -0.05 0.00 0.00 57.45 54.64 3ib1 n PHE 632 Cb 0.06 -1.36 -0.07 0.00 -0.94 0.00 0.00 39.48 37.18 3ib1 n PHE 632 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3ib1 s LYS 633 N -3.63 0.72 -0.26 -1.08 2.20 -1.18 -4.49 119.74 112.01 3ib1 s LYS 633 Ca 0.59 0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 56.85 3ib1 s LYS 633 Cb 0.47 0.30 0.18 0.00 -1.51 0.00 0.00 37.83 37.27 3ib1 s LYS 633 CO -0.10 -0.10 1.30 -1.54 -0.36 0.00 0.00 175.35 174.55 3ib1 s SER 634 N 0.69 -0.08 -0.95 1.43 1.04 -1.26 -4.82 113.70 109.74 3ib1 s SER 634 Ca -0.02 0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.25 3ib1 s SER 634 Cb -0.05 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 3ib1 s SER 634 CO -0.06 -0.08 1.81 -1.61 0.98 0.00 0.00 173.24 174.28 3ib1 s GLU 635 N -1.14 2.84 -0.70 4.02 8.01 -1.26 -3.75 118.70 126.72 3ib1 s GLU 635 Ca 0.08 -0.56 0.00 0.00 0.01 0.00 0.00 54.97 54.50 3ib1 s GLU 635 Cb -0.01 -5.15 0.00 0.00 -4.31 0.00 0.00 34.13 24.66 3ib1 s GLU 635 CO -0.06 -3.08 0.00 0.25 0.01 0.00 0.00 175.26 172.38 3ib1 n THR 636 N 7.60 -0.32 -0.01 3.63 -2.24 -1.26 -4.85 114.28 116.84 3ib1 n THR 636 Ca 0.39 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.01 3ib1 n THR 636 Cb 0.48 -1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 67.50 3ib1 n THR 636 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ib1 n LYS 637 N -2.53 0.71 -2.72 -0.78 4.01 -1.25 -4.83 118.16 110.77 3ib1 n LYS 637 Ca -0.09 0.27 -0.09 0.00 -0.51 0.00 0.00 58.31 57.90 3ib1 n LYS 637 Cb 0.53 -1.74 0.05 0.00 -0.51 0.00 0.00 35.03 33.35 3ib1 n LYS 637 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3ib1 n ASN 638 N -3.29 -2.23 -4.72 4.39 3.02 -1.26 -4.92 115.26 106.25 3ib1 n ASN 638 Ca -0.26 -0.33 -0.38 0.00 -0.03 0.00 0.00 54.58 53.59 3ib1 n ASN 638 Cb 1.05 -2.92 -0.06 0.00 -0.61 0.00 0.00 39.78 37.24 3ib1 n ASN 638 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ib1 s LEU 639 N -4.27 4.25 0.00 3.41 1.43 -1.26 -4.31 118.68 117.93 3ib1 s LEU 639 Ca 0.02 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3ib1 s LEU 639 Cb -0.00 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.60 3ib1 s LEU 639 CO 0.38 0.01 0.00 0.18 0.23 0.00 0.00 176.35 177.15 3ib1 n LEU 640 N 3.76 0.00 -4.36 1.79 4.77 -1.26 -4.79 117.00 116.91 3ib1 n LEU 640 Ca -0.08 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 3ib1 n LEU 640 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3ib1 n LEU 640 CO 0.42 0.00 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.75 3ib1 s PHE 641 N 0.00 1.72 0.24 -1.77 0.08 -1.26 -4.54 117.98 112.44 3ib1 s PHE 641 Ca 0.00 -0.74 -0.30 0.00 0.12 0.00 0.00 56.93 56.01 3ib1 s PHE 641 Cb 0.00 -0.93 -0.10 0.00 -0.57 0.00 0.00 43.02 41.42 3ib1 s PHE 641 CO 0.00 0.19 1.36 -0.80 -0.10 0.00 0.00 175.22 175.87 3ib1 s ASN 642 N -3.35 6.79 0.62 1.36 0.01 -1.26 -4.21 114.94 114.89 3ib1 s ASN 642 Ca 0.26 2.55 0.39 0.00 -0.71 0.00 0.00 52.86 55.35 3ib1 s ASN 642 Cb 0.03 -2.62 2.00 0.00 0.41 0.00 0.00 41.25 41.07 3ib1 s ASN 642 CO 0.09 -0.59 2.23 0.44 -1.51 0.00 0.00 177.10 177.75 3ib1 h ASP 643 N 4.92 0.00 -0.19 -1.22 3.32 -1.91 -1.84 116.42 119.51 3ib1 h ASP 643 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3ib1 h ASP 643 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3ib1 h ASP 643 CO 0.76 0.01 0.00 -0.46 -1.72 0.00 0.00 179.24 177.83 3ib1 n ASN 644 N -3.17 1.07 -4.67 6.45 6.94 -1.26 -4.79 115.26 115.83 3ib1 n ASN 644 Ca -0.02 -2.01 -0.42 0.00 -0.02 0.00 0.00 54.58 52.11 3ib1 n ASN 644 Cb 0.16 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 3ib1 n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3ib1 s THR 645 N -1.73 3.35 -0.04 5.53 2.01 -0.69 -4.42 115.64 119.64 3ib1 s THR 645 Ca 0.13 0.52 -0.22 0.00 0.31 0.00 0.00 61.69 62.43 3ib1 s THR 645 Cb 0.07 -3.34 -0.30 0.00 0.01 0.00 0.00 72.50 68.95 3ib1 s THR 645 CO 0.08 -0.04 0.94 -0.08 -0.69 0.00 0.00 174.62 174.84 3ib1 h GLU 646 N 9.47 0.32 -2.35 4.92 4.81 -0.16 -3.46 114.58 128.13 3ib1 h GLU 646 Ca -0.42 -0.49 0.14 0.00 -0.13 0.00 0.00 59.36 58.46 3ib1 h GLU 646 Cb 1.20 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.64 3ib1 h GLU 646 CO 0.95 1.21 0.47 0.00 -0.73 0.00 0.00 179.01 180.91 3ib1 s LEU 648 N -2.74 4.17 -0.03 0.00 1.43 -1.26 -1.18 118.68 119.08 3ib1 s LEU 648 Ca 0.09 1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 54.18 3ib1 s LEU 648 Cb -0.01 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 3ib1 s LEU 648 CO -0.03 -0.31 0.13 0.00 0.23 0.00 0.00 176.35 176.36 3ib1 s ALA 649 N 1.91 3.76 0.82 4.21 0.00 0.23 -4.63 121.76 128.07 3ib1 s ALA 649 Ca 0.34 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3ib1 s ALA 649 Cb -0.16 -1.75 0.09 0.00 0.00 0.00 0.00 23.12 21.29 3ib1 s ALA 649 CO 0.12 0.70 1.10 0.15 0.00 0.00 0.00 175.76 177.83 3ib1 s LYS 650 N -1.66 1.83 -0.11 0.00 1.02 -0.57 -1.23 119.74 119.01 3ib1 s LYS 650 Ca 0.23 1.19 -0.03 0.00 0.02 0.00 0.00 55.97 57.37 3ib1 s LYS 650 Cb -0.12 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 3ib1 s LYS 650 CO 0.14 -1.95 0.02 -0.51 -0.92 0.00 0.00 175.35 172.13 3ib1 s LEU 651 N -6.12 3.69 -0.22 3.17 1.43 -1.26 -4.78 118.68 114.59 3ib1 s LEU 651 Ca 0.63 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 3ib1 s LEU 651 Cb -0.18 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3ib1 s LEU 651 CO 0.57 0.34 1.40 -0.83 0.23 0.00 0.00 176.35 178.06 3ib1 s GLY 652 N -0.67 1.42 -0.29 -3.19 0.00 -1.26 -3.95 107.32 99.38 3ib1 s GLY 652 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.19 3ib1 s GLY 652 CO 0.02 2.71 0.00 0.61 0.00 0.00 0.00 173.10 176.44 3ib1 n GLY 653 N 4.21 0.60 3.20 0.20 0.00 -1.26 -4.42 105.19 107.72 3ib1 n GLY 653 Ca 0.16 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 3ib1 n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ib1 n ARG 654 N -2.63 -1.67 -1.87 1.61 5.12 -1.25 -4.96 116.66 111.01 3ib1 n ARG 654 Ca -0.03 1.49 -0.36 0.00 -1.93 0.00 0.00 57.85 57.03 3ib1 n ARG 654 Cb 0.13 -4.70 0.05 0.00 -1.16 0.00 0.00 32.46 26.77 3ib1 n ARG 654 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3ib1 s PRO 655 N -3.25 2.77 0.49 5.56 0.02 -1.26 -5.07 135.00 134.25 3ib1 s PRO 655 Ca 0.09 1.82 0.03 0.00 0.02 0.00 0.00 61.00 62.96 3ib1 s PRO 655 Cb -0.02 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.61 3ib1 s PRO 655 CO 0.80 -1.36 0.68 0.95 -0.33 0.00 0.00 177.00 177.74 3ib1 s THR 656 N -1.68 3.04 0.51 0.99 -4.23 -1.26 -4.79 115.64 108.21 3ib1 s THR 656 Ca 0.77 -0.76 0.25 0.00 -1.18 0.00 0.00 61.69 60.77 3ib1 s THR 656 Cb -0.30 -3.09 0.30 0.00 1.34 0.00 0.00 72.50 70.74 3ib1 s THR 656 CO 0.36 -0.05 2.15 0.10 -0.54 0.00 0.00 174.62 176.64 3ib1 h TYR 657 N 0.33 0.00 0.03 3.99 -0.00 -1.94 -0.32 116.97 119.06 3ib1 h TYR 657 Ca -0.42 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.04 3ib1 h TYR 657 Cb 1.28 0.00 0.02 0.00 0.00 0.00 0.00 36.73 38.03 3ib1 h TYR 657 CO 0.39 0.06 -1.07 0.93 -0.00 0.00 0.00 178.16 178.48 3ib1 h GLU 658 N 0.00 0.59 -0.54 0.10 5.08 -1.94 0.20 114.58 118.06 3ib1 h GLU 658 Ca -0.00 -0.67 -0.11 0.00 -1.00 0.00 0.00 59.36 57.57 3ib1 h GLU 658 Cb 0.14 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3ib1 h GLU 658 CO 0.01 1.27 -0.11 0.93 -1.00 0.00 0.00 179.01 180.11 3ib1 h GLU 659 N 0.31 1.02 -0.08 2.33 5.08 -1.80 0.26 114.58 121.69 3ib1 h GLU 659 Ca -0.13 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 3ib1 h GLU 659 Cb 1.72 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 3ib1 h GLU 659 CO 0.20 1.06 -0.09 -0.92 -1.00 0.00 0.00 179.01 178.26 3ib1 h TYR 660 N 0.90 0.25 -0.15 4.33 3.20 -1.00 -3.04 116.97 121.47 3ib1 h TYR 660 Ca 0.14 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3ib1 h TYR 660 Cb 0.67 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3ib1 h TYR 660 CO 0.04 0.65 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.01 3ib1 h LEU 661 N -0.22 0.23 0.00 2.82 3.38 -0.94 -3.48 115.31 117.11 3ib1 h LEU 661 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ib1 h LEU 661 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ib1 h LEU 661 CO 0.02 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.56 3ib1 n GLY 662 N -0.85 1.48 0.24 0.83 0.00 0.08 -4.53 105.19 102.43 3ib1 n GLY 662 Ca -0.01 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 3ib1 n GLY 662 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ib1 h THR 663 N 0.00 1.29 0.72 2.61 1.35 -1.88 -2.57 112.91 114.43 3ib1 h THR 663 Ca 0.00 -1.55 -0.04 0.00 -0.55 0.00 0.00 66.41 64.28 3ib1 h THR 663 Cb 0.00 1.46 0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3ib1 h THR 663 CO 0.00 0.50 -0.35 -0.08 -0.25 0.00 0.00 175.52 175.35 3ib1 h GLU 664 N 0.59 -0.93 -0.99 4.72 4.81 -1.95 -2.37 114.58 118.46 3ib1 h GLU 664 Ca 0.05 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3ib1 h GLU 664 Cb 0.92 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 3ib1 h GLU 664 CO 0.08 -0.62 0.66 -0.92 -0.73 0.00 0.00 179.01 177.48 3ib1 h TYR 665 N -1.05 1.24 -0.08 0.92 3.20 -1.80 -2.46 116.97 116.95 3ib1 h TYR 665 Ca -0.10 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 3ib1 h TYR 665 Cb 0.74 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3ib1 h TYR 665 CO 0.04 0.78 -0.15 0.28 -1.64 0.00 0.00 178.16 177.48 3ib1 h VAL 666 N 1.34 1.16 -0.04 1.81 2.07 -1.45 -2.02 116.25 119.11 3ib1 h VAL 666 Ca 0.36 -0.70 -0.21 0.00 0.82 0.00 0.00 66.70 66.98 3ib1 h VAL 666 Cb -0.15 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3ib1 h VAL 666 CO -0.08 0.21 -0.83 0.71 0.02 0.00 0.00 177.57 177.60 3ib1 h THR 667 N 0.12 1.39 -0.33 2.57 1.35 -0.98 -2.36 112.91 114.68 3ib1 h THR 667 Ca 0.03 -2.29 0.07 0.00 -0.55 0.00 0.00 66.41 63.67 3ib1 h THR 667 Cb 0.34 2.25 -0.08 0.00 -1.73 0.00 0.00 68.15 68.94 3ib1 h THR 667 CO 0.02 0.69 -0.34 0.00 -0.25 0.00 0.00 175.52 175.64 3ib1 h ALA 668 N 0.83 -0.27 0.14 6.62 0.00 -1.07 -1.71 119.26 123.79 3ib1 h ALA 668 Ca -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ib1 h ALA 668 Cb 1.44 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3ib1 h ALA 668 CO 0.14 -0.77 -0.07 0.82 0.00 0.00 0.00 179.25 179.38 3ib1 h ILE 669 N -0.31 0.87 -0.38 0.00 2.04 -1.28 -2.30 117.51 116.15 3ib1 h ILE 669 Ca 0.15 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.06 3ib1 h ILE 669 Cb 0.55 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 3ib1 h ILE 669 CO -0.49 0.00 -0.44 0.00 0.00 0.00 0.00 178.15 177.22 3ib1 h ALA 670 N 0.67 -0.47 -0.93 1.87 0.00 -1.27 0.52 119.26 119.66 3ib1 h ALA 670 Ca -0.02 0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.13 3ib1 h ALA 670 Cb 0.15 0.90 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 3ib1 h ALA 670 CO 0.03 -0.88 0.51 -0.91 0.00 0.00 0.00 179.25 177.99 3ib1 h ASN 671 N -0.35 0.59 -0.20 0.00 2.35 -1.13 0.79 115.58 117.64 3ib1 h ASN 671 Ca 0.13 0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 3ib1 h ASN 671 Cb 0.59 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 3ib1 h ASN 671 CO -0.56 0.18 -0.18 0.25 -1.65 0.00 0.00 177.43 175.47 3ib1 h LEU 672 N 0.62 0.61 -0.33 1.61 5.85 -0.76 -3.31 115.31 119.60 3ib1 h LEU 672 Ca 0.55 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.92 3ib1 h LEU 672 Cb 0.89 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3ib1 h LEU 672 CO -0.42 0.80 -0.73 0.11 -0.34 0.00 0.00 178.44 177.86 3ib1 h LYS 673 N 0.56 0.00 -0.01 1.25 1.79 0.14 -1.90 116.57 118.40 3ib1 h LYS 673 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3ib1 h LYS 673 Cb 0.62 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3ib1 h LYS 673 CO 0.04 0.73 0.04 1.57 -1.08 0.00 0.00 179.45 180.75 3ib1 h LYS 674 N 0.00 0.00 -0.36 3.15 2.10 -1.45 -1.85 116.57 118.16 3ib1 h LYS 674 Ca -0.01 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.50 3ib1 h LYS 674 Cb 1.40 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.72 3ib1 h LYS 674 CO 0.09 0.00 -0.35 0.00 -2.00 0.00 0.00 179.45 177.20 3ib1 n SER 676 N -4.06 0.43 0.00 0.00 3.41 -0.70 -4.96 113.62 107.73 3ib1 n SER 676 Ca -0.01 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 3ib1 n SER 676 Cb 0.51 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3ib1 n SER 676 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ib1 n LEU 681 N -0.02 0.00 -2.74 1.04 4.32 -1.26 -5.06 117.00 113.28 3ib1 n LEU 681 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 3ib1 n LEU 681 Cb 0.13 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.97 3ib1 n LEU 681 CO 0.00 -0.17 -0.07 -1.84 -1.22 0.00 0.00 177.39 174.09 3ib1 n GLU 682 N -1.83 1.41 -3.62 3.23 0.28 -1.26 -5.12 120.64 113.73 3ib1 n GLU 682 Ca 0.00 -3.37 -0.08 0.00 -0.16 0.00 0.00 57.16 53.55 3ib1 n GLU 682 Cb 0.00 -1.41 -0.06 0.00 1.43 0.00 0.00 31.44 31.40 3ib1 n GLU 682 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ib1 s ALA 683 N -3.43 -2.02 0.47 -1.84 0.00 -1.26 -5.13 121.76 108.55 3ib1 s ALA 683 Ca 0.27 1.77 -0.23 0.00 0.00 0.00 0.00 51.96 53.77 3ib1 s ALA 683 Cb 0.40 -1.33 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 3ib1 s ALA 683 CO 0.00 -0.23 1.25 0.00 0.00 0.00 0.00 175.76 176.79 3ib1 h ALA 685 N 2.00 1.26 -0.02 0.00 0.00 -1.94 -3.51 119.26 117.04 3ib1 h ALA 685 Ca -0.50 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3ib1 h ALA 685 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ib1 h ALA 685 CO 0.60 0.56 0.00 1.19 0.00 0.00 0.00 179.25 181.59