#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgn n SER 411 N 0.00 3.60 0.10 8.00 3.41 -1.26 -4.73 113.62 122.74 2jgn n SER 411 Ca 0.00 -3.82 0.13 0.00 -0.26 0.00 0.00 58.87 54.93 2jgn n SER 411 Cb 0.00 -0.48 0.64 0.00 -0.26 0.00 0.00 64.21 64.10 2jgn n SER 411 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jgn h GLU 412 N 1.59 0.07 -0.63 4.33 3.07 -1.93 -2.12 114.58 118.96 2jgn h GLU 412 Ca 0.23 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2jgn h GLU 412 Cb 1.33 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 2jgn h GLU 412 CO 0.49 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 178.23 2jgn n ASN 413 N -4.46 2.44 -4.04 1.42 3.02 -1.26 -4.57 115.26 107.81 2jgn n ASN 413 Ca 0.04 -2.24 -0.32 0.00 -0.03 0.00 0.00 54.58 52.04 2jgn n ASN 413 Cb 0.34 -0.43 -0.16 0.00 -0.61 0.00 0.00 39.78 38.92 2jgn n ASN 413 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jgn s ILE 414 N -1.67 1.91 0.02 2.41 1.01 -0.80 -0.83 121.20 123.24 2jgn s ILE 414 Ca 0.22 -1.24 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 2jgn s ILE 414 Cb 0.15 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 2jgn s ILE 414 CO 0.09 0.15 1.37 -0.89 0.00 0.00 0.00 174.94 175.67 2jgn s THR 415 N 1.27 3.71 -0.12 2.92 2.01 0.52 -4.87 115.64 121.07 2jgn s THR 415 Ca -0.03 1.13 0.02 0.00 0.31 0.00 0.00 61.69 63.12 2jgn s THR 415 Cb -0.17 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.62 2jgn s THR 415 CO -0.08 0.02 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.56 2jgn s GLN 416 N 2.12 2.79 -0.23 4.92 -0.21 -1.26 -0.87 119.66 126.92 2jgn s GLN 416 Ca 0.63 -0.77 0.01 0.00 0.02 0.00 0.00 55.36 55.25 2jgn s GLN 416 Cb -0.32 -2.25 0.03 0.00 1.00 0.00 0.00 33.01 31.48 2jgn s GLN 416 CO 0.27 -0.00 -0.13 0.15 -2.12 0.00 0.00 175.29 173.46 2jgn s LYS 417 N 0.79 2.70 -0.24 2.91 -0.14 -0.16 -4.44 119.74 121.16 2jgn s LYS 417 Ca -0.09 -1.04 -0.05 0.00 -1.36 0.00 0.00 55.97 53.43 2jgn s LYS 417 Cb -0.16 -2.81 -0.01 0.00 -1.68 0.00 0.00 37.83 33.18 2jgn s LYS 417 CO -0.00 -0.39 0.01 0.08 -0.76 0.00 0.00 175.35 174.29 2jgn s VAL 418 N 1.24 3.73 0.11 3.17 1.01 -1.26 -0.91 120.40 127.49 2jgn s VAL 418 Ca -0.01 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2jgn s VAL 418 Cb -0.16 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2jgn s VAL 418 CO -0.08 0.33 -0.22 0.68 0.00 0.00 0.00 175.10 175.81 2jgn s VAL 419 N 1.52 1.84 -0.15 2.92 -7.23 0.03 -4.83 120.40 114.49 2jgn s VAL 419 Ca 0.05 -1.59 -0.27 0.00 -1.81 0.00 0.00 61.98 58.36 2jgn s VAL 419 Cb -0.15 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 2jgn s VAL 419 CO -0.00 -0.02 0.92 0.86 -0.31 0.00 0.00 175.10 176.54 2jgn s TRP 420 N -1.13 3.45 -0.07 2.82 -0.11 -1.26 -1.17 118.94 121.46 2jgn s TRP 420 Ca 0.08 1.41 -0.03 0.00 1.22 0.00 0.00 56.10 58.78 2jgn s TRP 420 Cb -0.10 -3.11 0.04 0.00 -1.50 0.00 0.00 33.47 28.80 2jgn s TRP 420 CO 0.05 -0.26 0.08 0.08 -4.62 0.00 0.00 176.95 172.28 2jgn s VAL 421 N 2.19 -0.14 0.52 5.86 1.01 0.08 -4.86 120.40 125.07 2jgn s VAL 421 Ca 0.43 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.52 2jgn s VAL 421 Cb -0.17 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.91 2jgn s VAL 421 CO 0.14 0.10 1.21 -1.61 0.00 0.00 0.00 175.10 174.94 2jgn s GLU 422 N 2.19 3.36 0.26 2.72 0.41 -1.26 -4.27 118.70 122.10 2jgn s GLU 422 Ca 0.04 1.87 -0.03 0.00 -0.41 0.00 0.00 54.97 56.44 2jgn s GLU 422 Cb -0.13 -2.19 0.53 0.00 -1.78 0.00 0.00 34.13 30.56 2jgn s GLU 422 CO -0.04 -0.91 1.67 0.93 -0.49 0.00 0.00 175.26 176.42 2jgn h GLU 423 N 1.50 0.25 0.00 1.61 4.39 -2.01 0.35 114.58 120.67 2jgn h GLU 423 Ca -0.50 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2jgn h GLU 423 Cb 1.27 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2jgn h GLU 423 CO 0.58 0.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.46 2jgn n SER 424 N -5.18 0.67 0.01 1.42 3.41 -1.26 -2.37 113.62 110.32 2jgn n SER 424 Ca 0.16 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 2jgn n SER 424 Cb 0.52 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2jgn n SER 424 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jgn n ASP 425 N -2.22 0.69 -0.35 4.04 8.00 0.12 -4.60 116.55 122.23 2jgn n ASP 425 Ca 0.02 -0.51 -0.03 0.00 0.71 0.00 0.00 54.79 54.98 2jgn n ASP 425 Cb 0.25 0.90 0.10 0.00 -0.02 0.00 0.00 41.12 42.34 2jgn n ASP 425 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2jgn h LYS 426 N 0.00 1.24 -0.21 -1.24 1.57 -1.07 -1.26 116.57 115.61 2jgn h LYS 426 Ca 0.00 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2jgn h LYS 426 Cb 0.62 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2jgn h LYS 426 CO 0.00 0.83 -0.10 0.00 -0.57 0.00 0.00 179.45 179.62 2jgn h ARG 427 N 1.27 0.43 -0.02 3.15 3.08 -1.81 -0.97 114.38 119.51 2jgn h ARG 427 Ca 0.34 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 2jgn h ARG 427 Cb -0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2jgn h ARG 427 CO -0.07 0.71 -0.62 0.66 -1.07 0.00 0.00 179.97 179.58 2jgn h SER 428 N 0.13 0.10 -0.43 7.04 4.64 -1.82 -2.58 113.55 120.63 2jgn h SER 428 Ca 0.05 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2jgn h SER 428 Cb 0.58 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2jgn h SER 428 CO 0.03 0.69 0.10 0.15 -0.87 0.00 0.00 176.83 176.93 2jgn h PHE 429 N 0.06 0.79 -0.47 4.77 3.57 -1.20 -1.31 116.94 123.16 2jgn h PHE 429 Ca -0.01 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 2jgn h PHE 429 Cb 1.11 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2jgn h PHE 429 CO 0.01 0.68 0.06 1.25 -2.23 0.00 0.00 178.31 178.08 2jgn h LEU 430 N 0.73 0.76 -0.15 0.59 5.85 -0.90 0.16 115.31 122.35 2jgn h LEU 430 Ca 0.16 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2jgn h LEU 430 Cb 0.31 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2jgn h LEU 430 CO 0.00 0.84 0.08 -0.07 -0.34 0.00 0.00 178.44 178.95 2jgn h LEU 431 N 0.65 0.19 -1.06 2.25 3.38 -1.08 -0.15 115.31 119.49 2jgn h LEU 431 Ca 0.14 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2jgn h LEU 431 Cb 0.41 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2jgn h LEU 431 CO 0.01 0.23 0.63 0.44 0.09 0.00 0.00 178.44 179.84 2jgn h ASP 432 N 0.13 1.01 -0.40 -0.43 3.32 -1.10 -2.28 116.42 116.67 2jgn h ASP 432 Ca 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 2jgn h ASP 432 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2jgn h ASP 432 CO -0.01 0.67 -0.15 0.25 -1.72 0.00 0.00 179.24 178.28 2jgn h LEU 433 N 1.16 0.88 -0.28 1.55 5.85 -0.34 -0.07 115.31 124.05 2jgn h LEU 433 Ca 0.40 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2jgn h LEU 433 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2jgn h LEU 433 CO -0.14 1.03 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.68 2jgn h LEU 434 N 0.77 0.69 -0.61 2.25 3.38 -0.70 0.41 115.31 121.50 2jgn h LEU 434 Ca 0.12 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2jgn h LEU 434 Cb 0.68 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2jgn h LEU 434 CO 0.05 1.00 0.28 0.78 0.09 0.00 0.00 178.44 180.64 2jgn h ASN 435 N 0.39 0.80 -0.21 -0.43 -0.26 -1.38 -3.16 115.58 111.34 2jgn h ASN 435 Ca 0.05 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 2jgn h ASN 435 Cb 0.79 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 2jgn h ASN 435 CO 0.06 0.71 0.06 0.00 -1.06 0.00 0.00 177.43 177.21 2jgn h ALA 436 N 1.12 0.27 -3.00 -0.83 0.00 -0.63 -3.47 119.26 112.72 2jgn h ALA 436 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jgn h ALA 436 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jgn h ALA 436 CO -0.02 -0.10 0.00 2.41 0.00 0.00 0.00 179.25 181.53 2jgn n THR 437 N -4.79 0.00 -3.64 0.00 -1.04 0.14 -5.07 114.28 99.88 2jgn n THR 437 Ca -0.04 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.89 2jgn n THR 437 Cb 0.15 -0.07 -0.07 0.00 -1.82 0.00 0.00 70.33 68.52 2jgn n THR 437 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2jgn s LYS 439 N 0.00 0.44 0.29 -2.82 -0.14 -1.26 -5.09 119.74 111.16 2jgn s LYS 439 Ca 0.00 0.49 0.24 0.00 -1.36 0.00 0.00 55.97 55.34 2jgn s LYS 439 Cb 0.00 0.22 0.47 0.00 -1.68 0.00 0.00 37.83 36.84 2jgn s LYS 439 CO 0.00 -0.06 1.57 0.38 -0.76 0.00 0.00 175.35 176.48 2jgn h ASP 440 N 3.92 0.00 -5.39 2.83 2.03 -1.97 -3.48 116.42 114.35 2jgn h ASP 440 Ca -0.27 -0.03 0.18 0.00 -0.73 0.00 0.00 57.03 56.18 2jgn h ASP 440 Cb 1.18 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.62 2jgn h ASP 440 CO 0.13 0.01 0.55 -0.94 -1.03 0.00 0.00 179.24 177.96 2jgn s SER 441 N -5.24 -0.09 -1.26 4.15 1.04 -1.26 -4.64 113.70 106.40 2jgn s SER 441 Ca 0.07 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 2jgn s SER 441 Cb 0.09 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2jgn s SER 441 CO 0.66 -0.91 0.88 0.18 0.98 0.00 0.00 173.24 175.03 2jgn n LEU 442 N -0.57 -3.57 -4.55 2.42 4.77 -0.93 -4.50 117.00 110.08 2jgn n LEU 442 Ca -0.05 -0.71 -0.39 0.00 -0.03 0.00 0.00 56.01 54.83 2jgn n LEU 442 Cb 0.60 -2.91 -0.11 0.00 -2.33 0.00 0.00 43.42 38.68 2jgn n LEU 442 CO 0.17 0.41 -0.14 -0.89 -1.33 0.00 0.00 177.39 175.60 2jgn s THR 443 N -3.49 5.28 -0.25 -5.08 2.01 -0.52 -0.52 115.64 113.08 2jgn s THR 443 Ca 0.05 -0.08 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 2jgn s THR 443 Cb -0.02 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2jgn s THR 443 CO 0.77 0.09 0.07 -0.22 -0.69 0.00 0.00 174.62 174.64 2jgn s LEU 444 N 1.73 3.46 -0.25 4.42 2.96 0.21 -1.71 118.68 129.50 2jgn s LEU 444 Ca 0.06 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2jgn s LEU 444 Cb -0.17 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.61 2jgn s LEU 444 CO 0.11 -0.03 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.39 2jgn s VAL 445 N 1.56 3.23 -0.13 1.68 1.01 -0.30 0.00 120.40 127.45 2jgn s VAL 445 Ca 0.06 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 2jgn s VAL 445 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2jgn s VAL 445 CO 0.04 0.23 0.45 -0.36 0.00 0.00 0.00 175.10 175.46 2jgn s PHE 446 N 1.40 3.49 0.29 5.22 0.08 0.78 -1.01 117.98 128.24 2jgn s PHE 446 Ca 0.02 0.82 0.10 0.00 0.12 0.00 0.00 56.93 58.00 2jgn s PHE 446 Cb -0.16 -2.53 -0.06 0.00 -0.57 0.00 0.00 43.02 39.71 2jgn s PHE 446 CO -0.03 0.15 -0.15 0.14 -0.10 0.00 0.00 175.22 175.23 2jgn s VAL 447 N 0.71 2.26 0.11 -0.44 -7.23 -0.36 -1.66 120.40 113.79 2jgn s VAL 447 Ca 0.24 -2.30 -0.14 0.00 -1.81 0.00 0.00 61.98 57.97 2jgn s VAL 447 Cb -0.15 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 2jgn s VAL 447 CO 0.09 -0.35 1.47 -0.08 -0.31 0.00 0.00 175.10 175.93 2jgn h GLU 448 N 2.22 0.75 -5.67 4.82 4.57 -1.88 -3.35 114.58 116.04 2jgn h GLU 448 Ca -0.40 -0.34 -0.47 0.00 -1.18 0.00 0.00 59.36 56.96 2jgn h GLU 448 Cb 1.25 -0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 29.67 2jgn h GLU 448 CO 0.64 0.96 -0.75 0.95 -1.18 0.00 0.00 179.01 179.63 2jgn s THR 449 N -4.56 1.73 0.22 0.32 -4.23 -1.26 -4.78 115.64 103.09 2jgn s THR 449 Ca -0.12 -2.08 -0.08 0.00 -1.18 0.00 0.00 61.69 58.23 2jgn s THR 449 Cb 0.09 -1.94 0.18 0.00 1.34 0.00 0.00 72.50 72.18 2jgn s THR 449 CO 0.83 -0.49 1.84 0.11 -0.54 0.00 0.00 174.62 176.36 2jgn h LYS 450 N 2.85 0.85 -0.52 3.99 1.79 -1.99 -0.17 116.57 123.37 2jgn h LYS 450 Ca -0.39 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 57.96 2jgn h LYS 450 Cb 1.21 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 2jgn h LYS 450 CO 0.58 0.56 0.07 -0.22 -1.08 0.00 0.00 179.45 179.36 2jgn h LYS 451 N 0.88 0.83 -0.59 3.15 3.64 -1.99 -1.55 116.57 120.93 2jgn h LYS 451 Ca 0.33 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2jgn h LYS 451 Cb 0.13 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2jgn h LYS 451 CO -0.16 0.79 0.15 0.78 -2.27 0.00 0.00 179.45 178.74 2jgn h GLY 452 N 0.98 1.02 0.96 5.01 0.00 -1.74 0.46 103.07 109.76 2jgn h GLY 452 Ca 0.16 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2jgn h GLY 452 CO 0.01 0.59 -0.21 0.00 0.00 0.00 0.00 176.54 176.92 2jgn h ALA 453 N 1.04 -0.57 0.13 3.60 0.00 -0.75 -0.03 119.26 122.68 2jgn h ALA 453 Ca 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jgn h ALA 453 Cb 0.34 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2jgn h ALA 453 CO 0.00 -0.82 -0.36 0.22 0.00 0.00 0.00 179.25 178.28 2jgn h ASP 454 N -0.57 -1.06 -0.35 0.00 3.58 -1.17 -1.70 116.42 115.15 2jgn h ASP 454 Ca -0.05 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2jgn h ASP 454 Cb 0.45 0.40 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2jgn h ASP 454 CO 0.07 -0.45 0.05 -1.28 -2.88 0.00 0.00 179.24 174.75 2jgn h SER 455 N -0.60 0.63 -0.15 2.28 0.87 -0.85 -2.57 113.55 113.15 2jgn h SER 455 Ca 0.03 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.37 2jgn h SER 455 Cb 0.63 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2jgn h SER 455 CO -0.21 0.67 -0.18 0.25 -0.53 0.00 0.00 176.83 176.83 2jgn h LEU 456 N 0.65 0.56 -0.79 2.23 5.85 -0.76 -0.77 115.31 122.29 2jgn h LEU 456 Ca 0.14 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2jgn h LEU 456 Cb 0.33 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2jgn h LEU 456 CO 0.01 0.76 0.33 -0.08 -0.34 0.00 0.00 178.44 179.11 2jgn h GLU 457 N 0.51 1.16 -0.31 1.25 4.81 -0.96 -0.58 114.58 120.46 2jgn h GLU 457 Ca 0.08 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 2jgn h GLU 457 Cb 0.61 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2jgn h GLU 457 CO 0.04 0.93 -0.16 0.22 -0.73 0.00 0.00 179.01 179.31 2jgn h ASP 458 N 1.13 0.68 -0.23 1.04 1.82 -1.11 -0.64 116.42 119.12 2jgn h ASP 458 Ca 0.26 -0.41 0.05 0.00 -0.39 0.00 0.00 57.03 56.54 2jgn h ASP 458 Cb 0.19 -0.19 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 2jgn h ASP 458 CO -0.02 0.94 -0.12 0.15 -1.61 0.00 0.00 179.24 178.58 2jgn h PHE 459 N 0.42 -0.30 -0.29 0.28 3.57 -0.89 -1.38 116.94 118.35 2jgn h PHE 459 Ca 0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2jgn h PHE 459 Cb 0.69 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2jgn h PHE 459 CO 0.06 -0.19 0.05 -0.07 -2.23 0.00 0.00 178.31 175.93 2jgn h LEU 460 N -0.10 0.39 -0.23 0.59 3.38 -0.99 -0.84 115.31 117.51 2jgn h LEU 460 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jgn h LEU 460 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2jgn h LEU 460 CO -0.29 0.42 0.04 0.22 0.09 0.00 0.00 178.44 178.92 2jgn h TYR 461 N 0.42 0.40 0.00 1.13 3.20 -0.65 -0.33 116.97 121.14 2jgn h TYR 461 Ca 0.10 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jgn h TYR 461 Cb 0.21 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2jgn h TYR 461 CO 0.01 0.50 0.00 0.72 -1.64 0.00 0.00 178.16 177.74 2jgn n HIS 462 N -4.72 0.90 0.49 -3.82 8.25 -0.56 -1.11 115.22 114.66 2jgn n HIS 462 Ca -0.04 0.31 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 2jgn n HIS 462 Cb 0.19 -1.00 0.31 0.00 1.12 0.00 0.00 29.99 30.61 2jgn n HIS 462 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2jgn h GLU 463 N 0.00 0.00 0.00 -0.41 4.39 -0.90 -3.48 114.58 114.17 2jgn h GLU 463 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jgn h GLU 463 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2jgn h GLU 463 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2jgn n GLY 464 N 1.24 0.85 3.68 -3.84 0.00 -0.26 -5.08 105.19 101.79 2jgn n GLY 464 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2jgn n GLY 464 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jgn s TYR 465 N -2.06 3.44 0.15 1.61 2.02 -0.18 -5.01 117.35 117.33 2jgn s TYR 465 Ca 0.00 0.95 -0.31 0.00 -0.37 0.00 0.00 57.07 57.34 2jgn s TYR 465 Cb 0.00 -2.72 -0.08 0.00 -0.40 0.00 0.00 41.96 38.76 2jgn s TYR 465 CO 0.00 -0.04 1.37 0.00 -1.57 0.00 0.00 175.55 175.32 2jgn s ALA 466 N 1.38 3.58 0.18 3.71 0.00 -1.26 -3.97 121.76 125.37 2jgn s ALA 466 Ca 0.29 1.14 -0.21 0.00 0.00 0.00 0.00 51.96 53.17 2jgn s ALA 466 Cb -0.16 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.49 2jgn s ALA 466 CO 0.11 -0.60 0.59 0.00 0.00 0.00 0.00 175.76 175.86 2jgn s THR 468 N -3.80 0.84 0.03 0.00 -4.23 -0.32 -4.99 115.64 103.17 2jgn s THR 468 Ca 0.04 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 2jgn s THR 468 Cb -0.02 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 2jgn s THR 468 CO -0.09 0.00 -0.06 -0.94 -0.54 0.00 0.00 174.62 172.99 2jgn s SER 469 N -3.51 0.65 -0.14 3.99 1.04 -1.26 -0.28 113.70 114.19 2jgn s SER 469 Ca 0.31 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 56.24 2jgn s SER 469 Cb 0.06 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.25 2jgn s SER 469 CO 0.15 -0.22 -0.17 -0.63 0.98 0.00 0.00 173.24 173.35 2jgn s ILE 470 N -1.36 1.71 0.00 -1.02 1.01 0.40 -4.91 121.20 117.04 2jgn s ILE 470 Ca -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2jgn s ILE 470 Cb -0.10 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2jgn s ILE 470 CO -0.00 0.48 0.55 0.00 0.00 0.00 0.00 174.94 175.97 2jgn n HIS 471 N 4.52 0.00 -0.08 3.97 1.44 -1.26 -2.97 115.22 120.83 2jgn n HIS 471 Ca -0.19 -0.14 -0.12 0.00 -2.01 0.00 0.00 57.72 55.26 2jgn n HIS 471 Cb 0.50 0.31 -0.06 0.00 0.12 0.00 0.00 29.99 30.86 2jgn n HIS 471 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 2jgn h GLU 480 N 0.00 0.00 -0.72 -1.40 4.11 -1.99 -3.50 114.58 111.08 2jgn h GLU 480 Ca -0.16 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.34 2jgn h GLU 480 Cb 0.96 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.12 2jgn h GLU 480 CO -0.08 0.48 -0.42 -1.91 0.07 0.00 0.00 179.01 177.15 2jgn n GLU 481 N -4.54 -0.31 -0.17 1.06 2.13 -1.26 0.03 120.64 117.58 2jgn n GLU 481 Ca -0.18 1.32 -0.02 0.00 0.66 0.00 0.00 57.16 58.94 2jgn n GLU 481 Cb 0.45 -1.94 0.06 0.00 0.27 0.00 0.00 31.44 30.28 2jgn n GLU 481 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jgn h ALA 482 N 0.12 0.48 -0.01 4.31 0.00 -2.00 0.79 119.26 122.95 2jgn h ALA 482 Ca 0.11 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2jgn h ALA 482 Cb 0.29 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2jgn h ALA 482 CO -0.67 -0.40 -0.28 1.25 0.00 0.00 0.00 179.25 179.15 2jgn h LEU 483 N 0.09 0.02 0.00 0.00 5.85 -1.75 -2.37 115.31 117.16 2jgn h LEU 483 Ca 0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2jgn h LEU 483 Cb 0.41 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2jgn h LEU 483 CO -0.46 0.30 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.16 2jgn h HIS 484 N 0.02 0.00 0.22 1.25 2.76 0.19 -2.87 115.15 116.71 2jgn h HIS 484 Ca 0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 2jgn h HIS 484 Cb 0.50 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.49 2jgn h HIS 484 CO 0.00 0.00 -1.54 1.96 -1.30 0.00 0.00 177.93 177.05 2jgn h GLN 485 N 0.00 0.46 -0.33 5.26 4.20 -0.70 -3.10 115.11 120.90 2jgn h GLN 485 Ca 0.00 -0.79 0.03 0.00 0.06 0.00 0.00 58.65 57.96 2jgn h GLN 485 Cb 1.00 0.29 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 2jgn h GLN 485 CO 0.00 1.37 0.13 0.35 -0.67 0.00 0.00 178.83 180.01 2jgn h PHE 486 N 0.13 0.23 -0.06 2.96 3.57 -1.40 -2.08 116.94 120.28 2jgn h PHE 486 Ca -0.27 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 2jgn h PHE 486 Cb 2.13 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.81 2jgn h PHE 486 CO 0.11 0.11 -0.00 0.00 -2.23 0.00 0.00 178.31 176.30 2jgn h ARG 487 N 0.28 0.11 0.00 1.11 2.47 -1.61 -2.65 114.38 114.10 2jgn h ARG 487 Ca 0.15 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2jgn h ARG 487 Cb 0.10 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2jgn h ARG 487 CO -0.14 0.39 -0.00 0.66 0.56 0.00 0.00 179.97 181.45 2jgn h SER 488 N -0.18 0.00 -0.05 7.04 4.64 -1.51 -3.46 113.55 120.03 2jgn h SER 488 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2jgn h SER 488 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2jgn h SER 488 CO 0.00 0.00 -0.02 0.61 -0.87 0.00 0.00 176.83 176.56 2jgn n GLY 489 N -0.75 0.49 0.30 -0.77 0.00 -0.83 -4.93 105.19 98.70 2jgn n GLY 489 Ca -0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 2jgn n GLY 489 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jgn h LYS 490 N 0.55 1.01 -4.59 1.61 1.57 -1.70 -3.38 116.57 111.63 2jgn h LYS 490 Ca -0.02 -0.30 -0.69 0.00 -1.87 0.00 0.00 60.65 57.76 2jgn h LYS 490 Cb 0.15 -0.10 -0.33 0.00 0.08 0.00 0.00 32.23 32.03 2jgn h LYS 490 CO 0.03 0.98 -0.60 -1.12 -0.57 0.00 0.00 179.45 178.17 2jgn s SER 491 N -6.59 5.16 0.55 0.86 0.01 -0.99 -4.89 113.70 107.81 2jgn s SER 491 Ca -0.11 -1.68 0.33 0.00 1.31 0.00 0.00 55.95 55.80 2jgn s SER 491 Cb 0.14 -1.80 1.48 0.00 0.21 0.00 0.00 66.02 66.05 2jgn s SER 491 CO 0.85 -0.43 2.04 -0.65 0.41 0.00 0.00 173.24 175.45 2jgn h PRO 492 N 8.06 0.00 -5.28 12.44 0.11 -1.75 -3.36 132.00 142.23 2jgn h PRO 492 Ca -0.17 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.27 2jgn h PRO 492 Cb 1.06 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.84 2jgn h PRO 492 CO 0.64 0.05 -0.85 0.42 -0.21 0.00 0.00 178.00 178.04 2jgn s ILE 493 N -3.81 2.25 -0.20 4.15 1.01 -1.25 -1.44 121.20 121.90 2jgn s ILE 493 Ca -0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2jgn s ILE 493 Cb 0.10 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.69 2jgn s ILE 493 CO 0.54 0.55 -0.13 -0.22 0.00 0.00 0.00 174.94 175.68 2jgn s LEU 494 N 0.54 2.53 -0.19 2.97 0.20 -0.70 -1.17 118.68 122.87 2jgn s LEU 494 Ca -0.13 -0.60 -0.14 0.00 0.69 0.00 0.00 54.13 53.94 2jgn s LEU 494 Cb -0.17 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 2jgn s LEU 494 CO 0.04 -0.02 0.32 -0.69 -0.29 0.00 0.00 176.35 175.71 2jgn s VAL 495 N 1.35 5.27 0.03 1.68 1.01 0.62 -1.15 120.40 129.22 2jgn s VAL 495 Ca 0.04 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2jgn s VAL 495 Cb -0.14 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2jgn s VAL 495 CO -0.09 0.33 -0.08 0.00 0.00 0.00 0.00 175.10 175.27 2jgn s ALA 496 N 0.88 0.57 0.53 5.51 0.00 -0.18 -0.45 121.76 128.62 2jgn s ALA 496 Ca 0.17 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 2jgn s ALA 496 Cb -0.14 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2jgn s ALA 496 CO 0.06 0.01 0.86 0.95 0.00 0.00 0.00 175.76 177.64 2jgn s THR 497 N -1.12 4.66 0.00 0.00 -4.23 -1.16 -1.22 115.64 112.57 2jgn s THR 497 Ca -0.07 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 2jgn s THR 497 Cb -0.08 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2jgn s THR 497 CO 0.00 -0.85 0.00 0.00 -0.54 0.00 0.00 174.62 173.24 2jgn n ALA 498 N -2.42 0.00 -1.39 3.99 0.00 -1.26 -4.92 120.51 114.51 2jgn n ALA 498 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 2jgn n ALA 498 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 2jgn n ALA 498 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jgn n ASP 505 N 0.00 -5.33 -3.81 0.00 -0.08 -1.26 -5.16 116.55 100.91 2jgn n ASP 505 Ca 0.00 0.34 -0.24 0.00 -1.51 0.00 0.00 54.79 53.37 2jgn n ASP 505 Cb 0.00 -4.02 -0.17 0.00 2.34 0.00 0.00 41.12 39.27 2jgn n ASP 505 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jgn s ILE 506 N -2.27 0.58 0.22 5.18 1.01 -1.26 -5.12 121.20 119.54 2jgn s ILE 506 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 2jgn s ILE 506 Cb 0.00 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 2jgn s ILE 506 CO 0.00 0.27 0.34 -0.94 0.00 0.00 0.00 174.94 174.62 2jgn s SER 507 N 1.89 0.00 -1.49 3.58 1.04 -1.26 -4.70 113.70 112.76 2jgn s SER 507 Ca 0.05 -1.08 -0.12 0.00 0.48 0.00 0.00 55.95 55.28 2jgn s SER 507 Cb -0.13 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.57 2jgn s SER 507 CO -0.06 -1.02 0.92 -3.20 0.98 0.00 0.00 173.24 170.86 2jgn n ASN 508 N -0.33 -5.08 -4.83 7.02 5.15 0.33 -4.92 115.26 112.60 2jgn n ASN 508 Ca -0.01 -0.65 -0.31 0.00 -0.60 0.00 0.00 54.58 53.01 2jgn n ASN 508 Cb 0.63 -4.06 0.04 0.00 -0.53 0.00 0.00 39.78 35.87 2jgn n ASN 508 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2jgn s VAL 509 N -3.25 4.11 0.10 3.44 -7.23 0.83 -4.65 120.40 113.76 2jgn s VAL 509 Ca 0.59 0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 61.42 2jgn s VAL 509 Cb -0.29 -3.49 -0.24 0.00 0.56 0.00 0.00 36.38 32.92 2jgn s VAL 509 CO 0.73 -0.90 1.22 0.11 -0.31 0.00 0.00 175.10 175.96 2jgn h LYS 510 N -0.65 0.30 -2.62 4.82 1.57 -1.03 -3.20 116.57 115.75 2jgn h LYS 510 Ca -0.44 -0.42 -0.12 0.00 -1.87 0.00 0.00 60.65 57.81 2jgn h LYS 510 Cb 1.21 0.14 -0.27 0.00 0.08 0.00 0.00 32.23 33.39 2jgn h LYS 510 CO 0.58 1.15 -0.33 -1.58 -0.57 0.00 0.00 179.45 178.70 2jgn s HIS 511 N -2.90 -0.64 -0.22 -1.35 5.04 -0.61 -4.15 115.29 110.45 2jgn s HIS 511 Ca -0.04 1.33 -0.10 0.00 -1.54 0.00 0.00 55.06 54.71 2jgn s HIS 511 Cb 0.08 0.26 -0.05 0.00 0.04 0.00 0.00 32.58 32.91 2jgn s HIS 511 CO 0.87 -0.38 0.15 0.08 -2.34 0.00 0.00 174.74 173.12 2jgn s VAL 512 N 1.76 5.37 -0.24 0.89 1.01 0.30 -0.62 120.40 128.88 2jgn s VAL 512 Ca -0.07 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2jgn s VAL 512 Cb -0.10 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.84 2jgn s VAL 512 CO -0.13 0.38 -0.12 -0.63 0.00 0.00 0.00 175.10 174.61 2jgn s ILE 513 N 0.79 2.37 -1.08 2.22 1.01 0.10 0.24 121.20 126.85 2jgn s ILE 513 Ca 0.08 -1.27 -0.17 0.00 0.00 0.00 0.00 60.65 59.28 2jgn s ILE 513 Cb -0.13 -2.24 0.13 0.00 0.01 0.00 0.00 42.46 40.24 2jgn s ILE 513 CO 0.02 0.18 1.34 0.20 0.00 0.00 0.00 174.94 176.68 2jgn s ASN 514 N 1.22 6.79 0.21 3.58 0.01 0.22 -0.15 114.94 126.82 2jgn s ASN 514 Ca -0.03 -2.35 -0.10 0.00 -0.71 0.00 0.00 52.86 49.67 2jgn s ASN 514 Cb -0.17 -2.44 0.16 0.00 0.41 0.00 0.00 41.25 39.21 2jgn s ASN 514 CO -0.07 -1.02 1.88 0.15 -1.51 0.00 0.00 177.10 176.54 2jgn h PHE 515 N 8.22 0.94 -4.09 2.20 3.57 -1.59 -0.89 116.94 125.31 2jgn h PHE 515 Ca 0.25 0.02 -0.69 0.00 3.53 0.00 0.00 57.97 61.08 2jgn h PHE 515 Cb 0.95 -0.32 -0.29 0.00 2.79 0.00 0.00 35.95 39.08 2jgn h PHE 515 CO 1.18 0.59 -0.85 -0.51 -2.23 0.00 0.00 178.31 176.50 2jgn s ASP 516 N -5.88 3.35 0.47 0.41 1.01 -0.96 -4.58 116.67 110.50 2jgn s ASP 516 Ca -0.13 -0.42 -0.16 0.00 0.71 0.00 0.00 52.55 52.55 2jgn s ASP 516 Cb 0.15 -0.80 -0.08 0.00 1.01 0.00 0.00 42.92 43.20 2jgn s ASP 516 CO 0.78 0.28 0.93 -0.76 0.21 0.00 0.00 175.17 176.61 2jgn s LEU 517 N -0.33 3.73 0.92 1.23 1.43 -1.26 -4.65 118.68 119.74 2jgn s LEU 517 Ca 0.02 1.50 -0.13 0.00 -1.03 0.00 0.00 54.13 54.49 2jgn s LEU 517 Cb -0.12 -4.41 0.18 0.00 0.03 0.00 0.00 46.19 41.87 2jgn s LEU 517 CO 0.02 -0.50 1.26 -2.16 0.23 0.00 0.00 176.35 175.20 2jgn s PRO 518 N -3.83 0.86 0.00 1.29 0.04 -1.26 -4.93 135.00 127.16 2jgn s PRO 518 Ca 0.58 -0.52 0.25 0.00 0.04 0.00 0.00 61.00 61.35 2jgn s PRO 518 Cb -0.10 -1.93 0.49 0.00 0.04 0.00 0.00 34.50 32.99 2jgn s PRO 518 CO 0.28 -2.23 1.39 -1.13 0.04 0.00 0.00 177.00 175.35 2jgn n SER 519 N -3.59 1.09 -3.99 6.66 3.41 -1.26 -4.90 113.62 111.03 2jgn n SER 519 Ca 0.15 -0.87 -0.10 0.00 -0.26 0.00 0.00 58.87 57.79 2jgn n SER 519 Cb 0.60 0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.73 2jgn n SER 519 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2jgn s ASP 520 N -2.65 0.34 0.43 4.04 1.47 -1.26 -4.66 116.67 114.38 2jgn s ASP 520 Ca 0.19 -0.50 0.17 0.00 1.18 0.00 0.00 52.55 53.59 2jgn s ASP 520 Cb 0.18 0.09 0.95 0.00 -0.34 0.00 0.00 42.92 43.81 2jgn s ASP 520 CO 0.60 -0.28 1.91 -0.29 0.68 0.00 0.00 175.17 177.79 2jgn h ILE 521 N 4.63 1.03 -0.73 2.11 6.09 -1.94 -2.50 117.51 126.20 2jgn h ILE 521 Ca -0.33 -0.97 -0.02 0.00 -1.37 0.00 0.00 64.86 62.18 2jgn h ILE 521 Cb 1.21 1.55 -0.03 0.00 0.47 0.00 0.00 36.82 40.01 2jgn h ILE 521 CO 0.41 0.26 0.39 -0.33 -3.07 0.00 0.00 178.15 175.81 2jgn h GLU 522 N 0.00 1.03 -0.31 2.19 3.07 -1.99 0.98 114.58 119.56 2jgn h GLU 522 Ca -0.00 -0.13 -0.17 0.00 -0.50 0.00 0.00 59.36 58.55 2jgn h GLU 522 Cb 0.52 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2jgn h GLU 522 CO 0.03 0.78 -0.49 1.49 -1.40 0.00 0.00 179.01 179.42 2jgn h GLU 523 N 1.02 0.85 -0.65 2.33 4.57 -1.89 -1.18 114.58 119.63 2jgn h GLU 523 Ca 0.26 -0.51 0.12 0.00 -1.18 0.00 0.00 59.36 58.05 2jgn h GLU 523 Cb 0.06 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.61 2jgn h GLU 523 CO -0.04 1.14 0.17 -0.92 -1.18 0.00 0.00 179.01 178.18 2jgn h TYR 524 N 0.67 0.27 -0.55 0.92 3.20 -1.20 -1.98 116.97 118.30 2jgn h TYR 524 Ca 0.03 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 2jgn h TYR 524 Cb 1.09 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 2jgn h TYR 524 CO 0.07 -0.02 0.05 0.28 -1.64 0.00 0.00 178.16 176.90 2jgn h VAL 525 N 0.30 1.26 -0.84 1.81 2.07 -0.39 -1.59 116.25 118.87 2jgn h VAL 525 Ca 0.34 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.87 2jgn h VAL 525 Cb 0.52 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2jgn h VAL 525 CO -0.41 0.37 0.54 -0.74 0.02 0.00 0.00 177.57 177.35 2jgn h HIS 526 N 0.83 1.01 0.01 1.57 -0.00 -0.97 -2.34 115.15 115.26 2jgn h HIS 526 Ca 0.16 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.33 2jgn h HIS 526 Cb 0.47 -0.33 0.02 0.00 -0.00 0.00 0.00 27.41 27.56 2jgn h HIS 526 CO 0.03 0.58 -0.90 0.00 -0.00 0.00 0.00 177.93 177.64 2jgn h ARG 527 N 1.04 0.59 0.00 5.26 3.08 -1.00 -3.09 114.38 120.25 2jgn h ARG 527 Ca 0.34 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2jgn h ARG 527 Cb 0.01 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2jgn h ARG 527 CO -0.12 1.25 0.00 -0.84 -1.07 0.00 0.00 179.97 179.20 2jgn h ILE 528 N 0.19 0.00 0.00 2.04 3.07 -1.27 -2.62 117.51 118.92 2jgn h ILE 528 Ca -0.12 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 65.92 2jgn h ILE 528 Cb 1.58 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.42 2jgn h ILE 528 CO 0.18 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.89 2jgn n GLY 529 N -0.16 -0.94 0.02 0.16 0.00 -0.89 -2.69 105.19 100.69 2jgn n GLY 529 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.20 2jgn n GLY 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgn n ARG 530 N -1.80 0.27 -4.30 1.61 1.74 -0.99 -4.65 116.66 108.54 2jgn n ARG 530 Ca 0.02 -0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 2jgn n ARG 530 Cb 0.13 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 2jgn n ARG 530 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2jgn s THR 531 N -2.76 3.94 0.00 0.55 -1.32 -1.10 -0.12 115.64 114.85 2jgn s THR 531 Ca 0.22 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2jgn s THR 531 Cb 0.20 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 2jgn s THR 531 CO 0.51 0.32 0.00 0.61 -2.21 0.00 0.00 174.62 173.85 2jgn n GLY 532 N 1.24 -0.18 3.42 6.08 0.00 -1.21 -4.59 105.19 109.95 2jgn n GLY 532 Ca -0.14 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 2jgn n GLY 532 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jgn s ARG 533 N -2.88 1.33 0.15 1.61 1.70 -1.26 -3.76 118.95 115.84 2jgn s ARG 533 Ca 0.00 -1.28 -0.33 0.00 -0.47 0.00 0.00 55.73 53.65 2jgn s ARG 533 Cb 0.00 0.40 -0.13 0.00 -0.57 0.00 0.00 34.95 34.65 2jgn s ARG 533 CO 0.00 -0.51 1.66 0.28 -1.08 0.00 0.00 175.30 175.66 2jgn n VAL 534 N -0.30 0.08 -0.45 4.99 0.31 -1.26 -1.64 118.33 120.06 2jgn n VAL 534 Ca -0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2jgn n VAL 534 Cb 0.63 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 2jgn n VAL 534 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jgn n GLY 535 N 3.72 0.74 3.33 2.92 0.00 -1.26 -5.03 105.19 109.60 2jgn n GLY 535 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 2jgn n GLY 535 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgn s ASN 536 N -3.00 1.72 -0.09 1.61 4.22 -0.65 -5.15 114.94 113.60 2jgn s ASN 536 Ca 0.00 -1.26 -0.04 0.00 -2.14 0.00 0.00 52.86 49.43 2jgn s ASN 536 Cb 0.00 0.04 -0.04 0.00 1.28 0.00 0.00 41.25 42.53 2jgn s ASN 536 CO 0.00 -0.56 0.07 -0.76 -2.04 0.00 0.00 177.10 173.80 2jgn s LEU 537 N -3.31 3.94 0.64 3.54 1.02 -1.26 -4.38 118.68 118.87 2jgn s LEU 537 Ca 0.30 0.27 -0.00 0.00 0.02 0.00 0.00 54.13 54.72 2jgn s LEU 537 Cb 0.06 -1.98 0.08 0.00 0.02 0.00 0.00 46.19 44.37 2jgn s LEU 537 CO 0.10 0.38 0.89 -0.83 0.02 0.00 0.00 176.35 176.90 2jgn s GLY 538 N -1.07 1.79 -0.07 -3.19 0.00 -0.01 -4.65 107.32 100.12 2jgn s GLY 538 Ca 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2jgn s GLY 538 CO 0.05 -1.05 -0.05 -2.27 0.00 0.00 0.00 173.10 169.78 2jgn s LEU 539 N -4.97 1.14 -0.06 0.66 2.96 -1.26 -0.36 118.68 116.79 2jgn s LEU 539 Ca 0.62 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2jgn s LEU 539 Cb -0.08 -0.56 0.02 0.00 0.50 0.00 0.00 46.19 46.08 2jgn s LEU 539 CO 0.42 -0.09 -0.04 0.00 -1.32 0.00 0.00 176.35 175.31 2jgn s ALA 540 N 1.31 0.79 -0.12 5.97 0.00 -0.05 -0.54 121.76 129.13 2jgn s ALA 540 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 2jgn s ALA 540 Cb -0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2jgn s ALA 540 CO -0.02 -0.19 -0.11 0.99 0.00 0.00 0.00 175.76 176.43 2jgn s THR 541 N 1.31 3.23 -0.06 0.00 2.01 0.14 -0.99 115.64 121.27 2jgn s THR 541 Ca -0.05 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.39 2jgn s THR 541 Cb -0.14 -2.35 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 2jgn s THR 541 CO -0.02 0.53 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.79 2jgn s SER 542 N 0.15 2.58 -0.03 3.53 0.01 -0.09 -0.61 113.70 119.24 2jgn s SER 542 Ca -0.06 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 2jgn s SER 542 Cb -0.15 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.20 2jgn s SER 542 CO 0.04 0.18 0.50 -0.36 0.41 0.00 0.00 173.24 174.01 2jgn s PHE 543 N 0.07 3.65 -0.01 2.43 0.08 -0.34 -0.79 117.98 123.07 2jgn s PHE 543 Ca -0.07 1.04 0.02 0.00 0.12 0.00 0.00 56.93 58.04 2jgn s PHE 543 Cb -0.14 -2.49 -0.00 0.00 -0.57 0.00 0.00 43.02 39.82 2jgn s PHE 543 CO 0.04 0.39 -0.05 0.12 -0.10 0.00 0.00 175.22 175.62 2jgn s PHE 544 N -0.25 0.51 0.00 0.36 5.36 -0.32 -4.21 117.98 119.42 2jgn s PHE 544 Ca 0.27 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2jgn s PHE 544 Cb -0.17 -0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.17 2jgn s PHE 544 CO 0.14 -0.02 0.00 0.27 -1.46 0.00 0.00 175.22 174.15 2jgn n ASN 545 N 3.03 0.00 0.25 6.13 0.23 -1.26 -0.75 115.26 122.90 2jgn n ASN 545 Ca -0.14 -0.84 0.17 0.00 -0.53 0.00 0.00 54.58 53.24 2jgn n ASN 545 Cb 0.57 0.00 0.89 0.00 -2.08 0.00 0.00 39.78 39.17 2jgn n ASN 545 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2jgn h GLU 546 N 0.00 0.00 -0.03 -3.83 4.39 -2.01 0.50 114.58 113.60 2jgn h GLU 546 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2jgn h GLU 546 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2jgn h GLU 546 CO 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 179.01 177.90 2jgn h ARG 547 N 0.00 0.00 -0.70 2.33 3.08 -1.99 -2.54 114.38 114.55 2jgn h ARG 547 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2jgn h ARG 547 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2jgn h ARG 547 CO -0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2jgn n ASN 548 N -3.55 4.16 0.02 7.04 5.03 0.17 -4.57 115.26 123.56 2jgn n ASN 548 Ca -0.02 -2.12 0.11 0.00 0.87 0.00 0.00 54.58 53.42 2jgn n ASN 548 Cb 0.13 -0.51 0.55 0.00 -1.02 0.00 0.00 39.78 38.93 2jgn n ASN 548 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 2jgn h ILE 549 N 4.19 0.92 -0.72 2.41 6.09 -1.58 -1.27 117.51 127.55 2jgn h ILE 549 Ca 0.00 -0.09 0.15 0.00 -1.37 0.00 0.00 64.86 63.55 2jgn h ILE 549 Cb 1.11 0.63 -0.05 0.00 0.47 0.00 0.00 36.82 38.98 2jgn h ILE 549 CO 0.06 0.05 0.49 -0.55 -3.07 0.00 0.00 178.15 175.13 2jgn h ASN 550 N 0.27 0.33 -0.38 2.19 7.08 -1.85 -2.29 115.58 120.93 2jgn h ASN 550 Ca 0.19 0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.43 2jgn h ASN 550 Cb 0.41 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.60 2jgn h ASN 550 CO -0.04 0.17 0.00 0.00 -2.08 0.00 0.00 177.43 175.48 2jgn n ILE 551 N -4.46 0.51 0.21 6.14 3.06 -0.48 -4.71 119.36 119.62 2jgn n ILE 551 Ca 0.14 -0.76 -0.16 0.00 -2.50 0.00 0.00 62.75 59.47 2jgn n ILE 551 Cb 0.54 0.98 -0.09 0.00 0.54 0.00 0.00 39.64 41.61 2jgn n ILE 551 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 2jgn h THR 552 N 4.36 0.10 -0.65 9.51 2.02 -1.37 -0.54 112.91 126.34 2jgn h THR 552 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2jgn h THR 552 Cb 0.97 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2jgn h THR 552 CO 0.00 0.00 0.17 0.11 0.37 0.00 0.00 175.52 176.17 2jgn h LYS 553 N -0.83 1.03 -0.52 6.66 1.57 -1.84 -1.12 116.57 121.52 2jgn h LYS 553 Ca -0.02 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 2jgn h LYS 553 Cb 0.77 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2jgn h LYS 553 CO -0.14 0.93 0.18 -0.44 -0.57 0.00 0.00 179.45 179.40 2jgn h ASP 554 N 0.96 0.74 -0.54 0.86 3.32 -1.84 -0.32 116.42 119.59 2jgn h ASP 554 Ca 0.20 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2jgn h ASP 554 Cb 0.35 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2jgn h ASP 554 CO 0.00 0.73 0.24 0.25 -1.72 0.00 0.00 179.24 178.74 2jgn h LEU 555 N 0.70 0.72 -0.02 1.55 5.85 -0.97 -1.17 115.31 121.98 2jgn h LEU 555 Ca 0.17 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2jgn h LEU 555 Cb 0.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2jgn h LEU 555 CO -0.01 0.67 -0.12 0.25 -0.34 0.00 0.00 178.44 178.89 2jgn h LEU 556 N 0.73 -0.36 -0.80 2.25 5.85 -0.93 -0.61 115.31 121.44 2jgn h LEU 556 Ca 0.18 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 2jgn h LEU 556 Cb 0.16 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2jgn h LEU 556 CO -0.02 -0.17 0.31 0.44 -0.34 0.00 0.00 178.44 178.66 2jgn h ASP 557 N -0.20 1.11 -0.34 1.25 3.32 -0.85 -0.88 116.42 119.83 2jgn h ASP 557 Ca 0.05 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2jgn h ASP 557 Cb 0.26 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2jgn h ASP 557 CO -0.14 0.98 0.19 0.25 -1.72 0.00 0.00 179.24 178.80 2jgn h LEU 558 N 1.16 0.43 -1.07 1.55 6.46 -0.94 -1.11 115.31 121.79 2jgn h LEU 558 Ca 0.26 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 2jgn h LEU 558 Cb 0.23 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2jgn h LEU 558 CO -0.02 0.40 0.33 -0.07 -0.62 0.00 0.00 178.44 178.46 2jgn h LEU 559 N 0.43 0.89 -0.25 2.25 3.38 -0.47 -1.28 115.31 120.26 2jgn h LEU 559 Ca 0.12 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2jgn h LEU 559 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2jgn h LEU 559 CO -0.02 0.76 -0.01 0.58 0.09 0.00 0.00 178.44 179.84 2jgn h VAL 560 N 0.98 1.26 0.00 1.22 2.07 -0.99 0.29 116.25 121.08 2jgn h VAL 560 Ca 0.24 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2jgn h VAL 560 Cb 0.11 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2jgn h VAL 560 CO -0.03 0.29 -0.20 1.05 0.02 0.00 0.00 177.57 178.70 2jgn h GLU 561 N 0.22 0.00 -0.30 1.57 4.11 -0.99 -1.81 114.58 117.37 2jgn h GLU 561 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2jgn h GLU 561 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jgn h GLU 561 CO 0.01 0.20 0.00 0.00 0.07 0.00 0.00 179.01 179.30 2jgn n ALA 562 N -2.22 2.47 -4.04 1.06 0.00 -0.50 -4.92 120.51 112.36 2jgn n ALA 562 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.52 2jgn n ALA 562 Cb 0.41 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 2jgn n ALA 562 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jgn n LYS 563 N 0.52 -3.94 -3.02 0.00 5.02 -0.68 -4.49 118.16 111.56 2jgn n LYS 563 Ca 0.14 0.46 -0.20 0.00 -2.02 0.00 0.00 58.31 56.68 2jgn n LYS 563 Cb 0.32 -5.05 0.01 0.00 -0.02 0.00 0.00 35.03 30.29 2jgn n LYS 563 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jgn s GLN 564 N -6.69 2.89 0.17 1.97 -1.52 0.99 -5.03 119.66 112.44 2jgn s GLN 564 Ca 0.47 -0.86 -0.32 0.00 -1.95 0.00 0.00 55.36 52.70 2jgn s GLN 564 Cb -0.25 -2.65 -0.11 0.00 -0.22 0.00 0.00 33.01 29.78 2jgn s GLN 564 CO 0.88 -0.31 1.73 -2.00 -0.25 0.00 0.00 175.29 175.34 2jgn s GLU 565 N -4.47 4.14 -0.24 2.91 2.12 -1.26 -4.70 118.70 117.20 2jgn s GLU 565 Ca 0.51 2.56 -0.02 0.00 0.36 0.00 0.00 54.97 58.38 2jgn s GLU 565 Cb -0.10 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.07 2jgn s GLU 565 CO 0.35 -0.75 -0.07 0.08 -0.54 0.00 0.00 175.26 174.33 2jgn s VAL 566 N 1.64 2.90 0.30 3.70 1.01 -1.26 -4.81 120.40 123.88 2jgn s VAL 566 Ca 0.76 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2jgn s VAL 566 Cb -0.47 -2.42 -0.11 0.00 0.00 0.00 0.00 36.38 33.38 2jgn s VAL 566 CO 0.33 0.28 1.47 -2.84 0.00 0.00 0.00 175.10 174.33 2jgn s PRO 567 N 1.35 4.21 0.33 2.72 0.02 -1.26 -4.91 135.00 137.45 2jgn s PRO 567 Ca 0.02 2.42 0.08 0.00 0.02 0.00 0.00 61.00 63.54 2jgn s PRO 567 Cb -0.16 -3.05 0.78 0.00 0.02 0.00 0.00 34.50 32.09 2jgn s PRO 567 CO -0.05 -0.46 1.82 1.03 -0.33 0.00 0.00 177.00 179.00 2jgn h SER 568 N 4.23 0.73 -0.00 2.53 0.87 -2.00 -1.54 113.55 118.37 2jgn h SER 568 Ca -0.48 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.10 2jgn h SER 568 Cb 1.22 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2jgn h SER 568 CO 0.73 0.31 -0.12 4.11 -0.53 0.00 0.00 176.83 181.32 2jgn h TRP 569 N 0.74 0.28 -0.06 2.24 5.08 -1.99 -1.51 115.95 120.73 2jgn h TRP 569 Ca 0.53 -0.03 -0.14 0.00 1.08 0.00 0.00 58.89 60.33 2jgn h TRP 569 Cb 0.84 -0.08 0.01 0.00 -3.00 0.00 0.00 29.16 26.93 2jgn h TRP 569 CO -0.00 0.39 -0.49 1.25 -1.28 0.00 0.00 178.44 178.31 2jgn h LEU 570 N 0.26 0.54 -0.93 0.11 5.85 -1.66 -2.16 115.31 117.32 2jgn h LEU 570 Ca 0.05 -0.68 0.03 0.00 0.84 0.00 0.00 57.88 58.12 2jgn h LEU 570 Cb 0.38 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2jgn h LEU 570 CO 0.02 1.14 0.61 -0.08 -0.34 0.00 0.00 178.44 179.79 2jgn h GLU 571 N -0.01 1.16 -0.01 1.25 4.81 -1.29 0.12 114.58 120.62 2jgn h GLU 571 Ca -0.04 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 58.92 2jgn h GLU 571 Cb 1.16 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2jgn h GLU 571 CO 0.10 0.77 -0.87 -0.91 -0.73 0.00 0.00 179.01 177.38 2jgn h ASN 572 N 1.20 0.33 0.22 1.04 2.35 -1.21 -0.87 115.58 118.64 2jgn h ASN 572 Ca 0.36 -0.26 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 2jgn h ASN 572 Cb -0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2jgn h ASN 572 CO -0.10 1.05 -0.57 0.24 -1.65 0.00 0.00 177.43 176.39 2jgn h MET 573 N 0.15 0.37 -0.35 0.81 2.86 -1.17 -2.88 114.93 114.73 2jgn h MET 573 Ca -0.05 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.23 2jgn h MET 573 Cb 1.48 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 2jgn h MET 573 CO 0.14 0.84 -0.29 0.00 1.06 0.00 0.00 176.91 178.66 2jgn h ALA 574 N 1.11 0.85 0.00 6.32 0.00 -0.91 -3.48 119.26 123.14 2jgn h ALA 574 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jgn h ALA 574 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jgn h ALA 574 CO 0.10 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.64