#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj2 s GLN 400 N 0.00 0.42 0.27 1.45 -0.21 -1.26 -5.14 119.66 115.19 1wj2 s GLN 400 Ca 0.00 1.18 -0.30 0.00 0.02 0.00 0.00 55.36 56.26 1wj2 s GLN 400 Cb 0.00 0.52 -0.11 0.00 1.00 0.00 0.00 33.01 34.42 1wj2 s GLN 400 CO 0.00 -0.24 1.54 0.95 -2.12 0.00 0.00 175.29 175.42 1wj2 s THR 401 N 2.72 2.30 -0.23 -0.19 -4.23 -1.26 -5.00 115.64 109.75 1wj2 s THR 401 Ca -0.03 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1wj2 s THR 401 Cb -0.12 -3.16 0.06 0.00 1.34 0.00 0.00 72.50 70.62 1wj2 s THR 401 CO -0.15 0.04 -0.04 -0.89 -0.54 0.00 0.00 174.62 173.04 1wj2 s THR 402 N 0.07 1.40 0.44 3.99 2.01 -1.26 -5.12 115.64 117.17 1wj2 s THR 402 Ca 0.62 -1.13 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1wj2 s THR 402 Cb -0.45 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1wj2 s THR 402 CO 0.45 -0.11 0.21 -0.94 -0.69 0.00 0.00 174.62 173.54 1wj2 s SER 403 N 1.46 4.45 0.49 3.53 1.04 -1.26 -5.15 113.70 118.26 1wj2 s SER 403 Ca -0.05 -1.15 0.09 0.00 0.48 0.00 0.00 55.95 55.32 1wj2 s SER 403 Cb -0.19 -0.25 0.05 0.00 0.10 0.00 0.00 66.02 65.73 1wj2 s SER 403 CO -0.06 -0.67 0.67 -1.61 0.98 0.00 0.00 173.24 172.55 1wj2 s GLU 404 N -3.97 2.59 -0.12 4.02 0.41 -1.26 -5.08 118.70 115.28 1wj2 s GLU 404 Ca 0.37 -1.43 -0.22 0.00 -0.41 0.00 0.00 54.97 53.28 1wj2 s GLU 404 Cb 0.02 -2.70 -0.03 0.00 -1.78 0.00 0.00 34.13 29.64 1wj2 s GLU 404 CO 0.21 -0.54 0.65 0.54 -0.49 0.00 0.00 175.26 175.63 1wj2 s VAL 405 N -2.50 5.05 0.24 2.63 0.11 -1.26 -5.06 120.40 119.61 1wj2 s VAL 405 Ca 0.58 1.30 0.05 0.00 -2.93 0.00 0.00 61.98 60.98 1wj2 s VAL 405 Cb -0.08 -3.98 -0.05 0.00 -1.53 0.00 0.00 36.38 30.74 1wj2 s VAL 405 CO 0.36 0.21 -0.05 -1.81 -3.33 0.00 0.00 175.10 170.47 1wj2 s ASP 406 N 0.91 2.28 -0.99 3.54 1.11 -1.26 -5.09 116.67 117.18 1wj2 s ASP 406 Ca 0.33 -1.16 -0.14 0.00 0.18 0.00 0.00 52.55 51.76 1wj2 s ASP 406 Cb -0.17 -0.08 0.20 0.00 1.07 0.00 0.00 42.92 43.95 1wj2 s ASP 406 CO 0.14 -0.38 1.06 -0.76 1.18 0.00 0.00 175.17 176.40 1wj2 s LEU 407 N -3.34 5.95 0.00 1.23 1.43 -1.26 -5.02 118.68 117.67 1wj2 s LEU 407 Ca 0.27 -2.81 0.08 0.00 -1.03 0.00 0.00 54.13 50.64 1wj2 s LEU 407 Cb 0.04 -2.29 0.08 0.00 0.03 0.00 0.00 46.19 44.05 1wj2 s LEU 407 CO 0.09 -0.65 0.69 0.18 0.23 0.00 0.00 176.35 176.89 1wj2 n LEU 408 N 4.58 0.00 -4.37 1.79 4.32 -1.26 -5.02 117.00 117.05 1wj2 n LEU 408 Ca 0.23 -2.17 -0.45 0.00 -0.02 0.00 0.00 56.01 53.60 1wj2 n LEU 408 Cb 0.45 -0.37 -0.01 0.00 -1.62 0.00 0.00 43.42 41.87 1wj2 n LEU 408 CO 0.46 -0.68 0.79 -0.62 -1.22 0.00 0.00 177.39 176.12 1wj2 s ASP 409 N -4.11 7.03 0.00 -1.43 2.15 -1.26 -4.64 116.67 114.41 1wj2 s ASP 409 Ca 0.53 -3.05 0.00 0.00 0.43 0.00 0.00 52.55 50.46 1wj2 s ASP 409 Cb -0.04 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1wj2 s ASP 409 CO 0.33 -0.54 0.00 -0.67 -0.17 0.00 0.00 175.17 174.13 1wj2 n ASP 410 N 4.00 0.39 0.00 -0.34 -0.08 -1.26 -5.04 116.55 114.22 1wj2 n ASP 410 Ca 0.23 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1wj2 n ASP 410 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1wj2 n ASP 410 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wj2 n GLY 411 N 2.60 0.01 3.54 0.27 0.00 -1.26 -5.14 105.19 105.21 1wj2 n GLY 411 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1wj2 n GLY 411 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wj2 s TYR 412 N 0.00 1.79 -1.07 1.61 2.02 -1.26 -4.86 117.35 115.58 1wj2 s TYR 412 Ca 0.00 -1.27 -0.17 0.00 -0.37 0.00 0.00 57.07 55.26 1wj2 s TYR 412 Cb 0.00 -1.19 0.14 0.00 -0.40 0.00 0.00 41.96 40.51 1wj2 s TYR 412 CO 0.00 -0.27 1.30 0.50 -1.57 0.00 0.00 175.55 175.51 1wj2 s ARG 413 N -3.71 3.84 0.52 -0.62 3.52 -1.26 -4.89 118.95 116.34 1wj2 s ARG 413 Ca 0.22 -2.13 0.02 0.00 -0.13 0.00 0.00 55.73 53.71 1wj2 s ARG 413 Cb 0.02 -5.02 0.03 0.00 -1.56 0.00 0.00 34.95 28.42 1wj2 s ARG 413 CO 0.14 -1.80 0.73 -1.58 -0.81 0.00 0.00 175.30 171.97 1wj2 s TRP 414 N 2.30 2.89 -0.06 5.12 0.52 -1.26 -0.62 118.94 127.82 1wj2 s TRP 414 Ca 0.38 -0.06 -0.30 0.00 0.02 0.00 0.00 56.10 56.14 1wj2 s TRP 414 Cb -0.03 -2.64 0.09 0.00 -1.15 0.00 0.00 33.47 29.73 1wj2 s TRP 414 CO -0.05 -0.74 0.77 0.50 0.02 0.00 0.00 176.95 177.45 1wj2 s ARG 415 N -4.67 0.94 -0.13 4.98 3.00 -0.71 -4.79 118.95 117.57 1wj2 s ARG 415 Ca 0.56 0.15 -0.14 0.00 -1.00 0.00 0.00 55.73 55.29 1wj2 s ARG 415 Cb -0.10 0.44 -0.05 0.00 0.00 0.00 0.00 34.95 35.24 1wj2 s ARG 415 CO 0.37 -0.31 0.33 0.21 0.00 0.00 0.00 175.30 175.91 1wj2 s LYS 416 N -1.44 4.19 -0.08 5.12 2.20 -1.26 -1.37 119.74 127.09 1wj2 s LYS 416 Ca -0.07 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 1wj2 s LYS 416 Cb -0.00 -3.39 -0.07 0.00 -1.51 0.00 0.00 37.83 32.85 1wj2 s LYS 416 CO 0.05 0.30 -0.04 2.48 -0.36 0.00 0.00 175.35 177.79 1wj2 n TYR 417 N 3.31 0.00 -3.69 4.03 0.18 -1.21 -5.04 117.16 114.73 1wj2 n TYR 417 Ca -0.12 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.58 1wj2 n TYR 417 Cb 0.52 -0.36 0.01 0.00 -0.38 0.00 0.00 39.34 39.13 1wj2 n TYR 417 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1wj2 n GLY 418 N 2.85 1.57 3.56 -7.48 0.00 -1.26 -5.12 105.19 99.31 1wj2 n GLY 418 Ca -0.14 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 1wj2 n GLY 418 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wj2 s GLN 419 N -2.23 0.94 0.41 1.61 -2.07 -1.26 -3.25 119.66 113.82 1wj2 s GLN 419 Ca 0.15 0.59 0.01 0.00 -1.82 0.00 0.00 55.36 54.29 1wj2 s GLN 419 Cb -0.03 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.35 1wj2 s GLN 419 CO 0.11 -0.22 0.09 1.17 -1.32 0.00 0.00 175.29 175.12 1wj2 n LYS 420 N 1.75 0.97 -4.14 9.60 4.81 0.20 -4.94 118.16 126.41 1wj2 n LYS 420 Ca -0.17 -2.90 -0.12 0.00 -0.87 0.00 0.00 58.31 54.25 1wj2 n LYS 420 Cb 0.56 0.65 -0.11 0.00 0.02 0.00 0.00 35.03 36.16 1wj2 n LYS 420 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wj2 s VAL 421 N -2.38 0.72 -0.02 3.15 0.11 -1.26 0.25 120.40 120.96 1wj2 s VAL 421 Ca 0.07 -1.63 -0.02 0.00 -2.93 0.00 0.00 61.98 57.47 1wj2 s VAL 421 Cb -0.01 -1.32 0.01 0.00 -1.53 0.00 0.00 36.38 33.53 1wj2 s VAL 421 CO 0.04 -0.66 0.05 -0.69 -3.33 0.00 0.00 175.10 170.52 1wj2 s VAL 422 N -2.72 -0.00 0.13 2.04 1.01 -1.26 -4.85 120.40 114.74 1wj2 s VAL 422 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1wj2 s VAL 422 Cb -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 36.38 36.22 1wj2 s VAL 422 CO -0.02 0.00 1.19 -1.59 0.00 0.00 0.00 175.10 174.68 1wj2 s LYS 423 N 0.04 4.47 0.00 2.72 -2.85 -1.26 -2.98 119.74 119.89 1wj2 s LYS 423 Ca -0.00 1.81 0.00 0.00 -1.00 0.00 0.00 55.97 56.78 1wj2 s LYS 423 Cb -0.01 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 1wj2 s LYS 423 CO 0.00 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.71 1wj2 n GLY 424 N 2.67 3.27 3.24 0.59 0.00 -1.26 -5.00 105.19 108.69 1wj2 n GLY 424 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1wj2 n GLY 424 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wj2 s ASN 425 N -0.57 5.76 0.57 1.61 0.02 -1.16 -4.87 114.94 116.30 1wj2 s ASN 425 Ca 0.00 -1.81 0.31 0.00 -1.02 0.00 0.00 52.86 50.35 1wj2 s ASN 425 Cb 0.00 -2.03 1.45 0.00 0.02 0.00 0.00 41.25 40.69 1wj2 s ASN 425 CO 0.00 -0.68 1.82 -0.65 0.02 0.00 0.00 177.10 177.61 1wj2 h PRO 426 N 8.50 0.00 -5.85 -0.60 0.11 -1.93 -3.40 132.00 128.83 1wj2 h PRO 426 Ca -0.23 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.31 1wj2 h PRO 426 Cb 1.08 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 1wj2 h PRO 426 CO 0.86 0.00 -0.10 0.71 -0.21 0.00 0.00 178.00 179.26 1wj2 s TYR 427 N -4.78 3.57 0.83 0.65 2.02 -1.26 -5.08 117.35 113.31 1wj2 s TYR 427 Ca -0.04 0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 57.53 1wj2 s TYR 427 Cb 0.19 -2.56 0.09 0.00 -0.40 0.00 0.00 41.96 39.28 1wj2 s TYR 427 CO 0.67 0.24 1.10 -1.25 -1.57 0.00 0.00 175.55 174.74 1wj2 s PRO 428 N 0.32 1.79 -0.46 -1.71 0.04 -1.26 -4.69 135.00 129.03 1wj2 s PRO 428 Ca 0.28 0.60 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 1wj2 s PRO 428 Cb -0.16 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1wj2 s PRO 428 CO 0.12 -1.81 0.82 1.03 0.04 0.00 0.00 177.00 177.20 1wj2 s ARG 429 N -5.15 3.42 0.17 4.56 0.52 0.14 -4.71 118.95 117.89 1wj2 s ARG 429 Ca 0.62 -0.08 -0.08 0.00 -0.52 0.00 0.00 55.73 55.66 1wj2 s ARG 429 Cb -0.15 -3.95 -0.06 0.00 0.52 0.00 0.00 34.95 31.31 1wj2 s ARG 429 CO 0.54 -1.16 0.46 -1.12 0.02 0.00 0.00 175.30 174.05 1wj2 s SER 430 N 2.20 6.60 -0.04 0.23 0.01 -1.23 0.58 113.70 122.05 1wj2 s SER 430 Ca 0.31 0.80 -0.01 0.00 1.31 0.00 0.00 55.95 58.36 1wj2 s SER 430 Cb -0.12 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 63.96 1wj2 s SER 430 CO 0.23 0.03 0.01 -0.31 0.41 0.00 0.00 173.24 173.61 1wj2 s TYR 431 N -1.66 0.38 0.50 2.43 2.02 -1.20 -2.29 117.35 117.54 1wj2 s TYR 431 Ca 0.42 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.13 1wj2 s TYR 431 Cb -0.12 -0.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.88 1wj2 s TYR 431 CO 0.22 -0.20 0.04 0.71 -1.57 0.00 0.00 175.55 174.75 1wj2 s TYR 432 N 1.50 1.94 -0.28 2.71 1.51 -0.69 -3.35 117.35 120.68 1wj2 s TYR 432 Ca -0.03 -0.91 -0.21 0.00 -1.01 0.00 0.00 57.07 54.92 1wj2 s TYR 432 Cb -0.13 -1.66 0.11 0.00 -0.11 0.00 0.00 41.96 40.16 1wj2 s TYR 432 CO -0.03 0.19 0.88 -1.59 -1.11 0.00 0.00 175.55 173.89 1wj2 s LYS 433 N -3.89 0.59 -0.73 -0.62 -2.85 -0.47 -1.21 119.74 110.55 1wj2 s LYS 433 Ca 0.12 0.84 -0.26 0.00 -1.00 0.00 0.00 55.97 55.67 1wj2 s LYS 433 Cb 0.02 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1wj2 s LYS 433 CO 0.07 -0.09 1.82 0.00 0.10 0.00 0.00 175.35 177.24 1wj2 n THR 435 N 7.32 4.64 -3.94 0.00 5.66 0.21 -2.59 114.28 125.58 1wj2 n THR 435 Ca 0.25 -4.65 -0.27 0.00 -3.05 0.00 0.00 64.05 56.33 1wj2 n THR 435 Cb 0.50 -2.26 -0.03 0.00 -1.55 0.00 0.00 70.33 66.98 1wj2 n THR 435 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wj2 s THR 436 N -0.38 5.34 -0.80 1.09 -4.23 -0.52 -4.95 115.64 111.19 1wj2 s THR 436 Ca 0.40 -0.61 -0.23 0.00 -1.18 0.00 0.00 61.69 60.07 1wj2 s THR 436 Cb 0.10 -3.71 -0.18 0.00 1.34 0.00 0.00 72.50 70.05 1wj2 s THR 436 CO 0.01 -0.03 2.38 -0.81 -0.54 0.00 0.00 174.62 175.63 1wj2 n PRO 437 N -0.33 0.49 0.00 3.99 -0.04 -1.26 -0.27 135.00 137.58 1wj2 n PRO 437 Ca -0.06 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1wj2 n PRO 437 Cb 0.53 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1wj2 n PRO 437 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wj2 n GLY 438 N 6.37 2.69 3.57 0.55 0.00 -1.26 -5.05 105.19 112.06 1wj2 n GLY 438 Ca 0.51 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 1wj2 n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wj2 n GLY 440 N 5.04 5.24 3.88 0.00 0.00 -1.25 -1.45 105.19 116.65 1wj2 n GLY 440 Ca -0.13 -2.76 -0.30 0.00 0.00 0.00 0.00 46.02 42.83 1wj2 n GLY 440 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wj2 s VAL 441 N -3.59 4.83 0.01 1.61 1.01 -1.07 -4.91 120.40 118.28 1wj2 s VAL 441 Ca 0.45 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.98 1wj2 s VAL 441 Cb 0.23 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1wj2 s VAL 441 CO -0.08 -0.50 -0.09 -0.13 0.00 0.00 0.00 175.10 174.29 1wj2 s ARG 442 N -3.83 0.70 0.06 2.72 1.81 -1.14 0.28 118.95 119.55 1wj2 s ARG 442 Ca 0.50 -0.44 -0.03 0.00 -1.72 0.00 0.00 55.73 54.04 1wj2 s ARG 442 Cb -0.10 -0.65 -0.03 0.00 -0.45 0.00 0.00 34.95 33.72 1wj2 s ARG 442 CO 0.31 0.17 0.03 -1.59 -0.68 0.00 0.00 175.30 173.54 1wj2 s LYS 443 N -0.55 0.65 0.01 3.54 -2.85 -0.35 -0.87 119.74 119.32 1wj2 s LYS 443 Ca 0.01 -1.11 0.06 0.00 -1.00 0.00 0.00 55.97 53.93 1wj2 s LYS 443 Cb -0.05 0.24 -0.02 0.00 -2.06 0.00 0.00 37.83 35.94 1wj2 s LYS 443 CO 0.00 -0.15 -0.19 -1.01 0.10 0.00 0.00 175.35 174.11 1wj2 s HIS 444 N -3.74 1.65 -0.33 1.78 3.76 -0.38 -1.70 115.29 116.32 1wj2 s HIS 444 Ca 0.05 -0.33 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1wj2 s HIS 444 Cb 0.06 -1.03 0.10 0.00 1.11 0.00 0.00 32.58 32.82 1wj2 s HIS 444 CO -0.10 0.01 0.05 0.08 -0.85 0.00 0.00 174.74 173.94 1wj2 s VAL 445 N -0.58 2.16 -0.27 -0.90 1.01 -0.97 -1.66 120.40 119.19 1wj2 s VAL 445 Ca 0.07 -2.25 -0.15 0.00 0.00 0.00 0.00 61.98 59.65 1wj2 s VAL 445 Cb -0.08 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1wj2 s VAL 445 CO 0.00 -0.59 0.36 -1.61 0.00 0.00 0.00 175.10 173.27 1wj2 s GLU 446 N 0.97 3.99 -0.79 2.72 2.02 -0.25 -3.55 118.70 123.80 1wj2 s GLU 446 Ca 0.10 -0.00 -0.18 0.00 0.02 0.00 0.00 54.97 54.91 1wj2 s GLU 446 Cb -0.19 -3.66 0.14 0.00 0.10 0.00 0.00 34.13 30.52 1wj2 s GLU 446 CO -0.09 -0.29 0.90 1.03 0.02 0.00 0.00 175.26 176.83 1wj2 s ARG 447 N 2.05 3.41 -0.26 1.61 0.52 -1.26 -1.35 118.95 123.68 1wj2 s ARG 447 Ca 0.14 -1.76 -0.29 0.00 -0.52 0.00 0.00 55.73 53.31 1wj2 s ARG 447 Cb -0.16 -4.56 -0.03 0.00 0.52 0.00 0.00 34.95 30.72 1wj2 s ARG 447 CO 0.10 -1.59 1.88 0.00 0.02 0.00 0.00 175.30 175.71 1wj2 s ALA 448 N 2.11 2.96 -0.22 2.13 0.00 0.29 -4.80 121.76 124.23 1wj2 s ALA 448 Ca 0.22 0.50 0.20 0.00 0.00 0.00 0.00 51.96 52.88 1wj2 s ALA 448 Cb -0.12 -3.99 0.02 0.00 0.00 0.00 0.00 23.12 19.03 1wj2 s ALA 448 CO -0.04 -2.46 1.13 0.00 0.00 0.00 0.00 175.76 174.39 1wj2 h ALA 449 N 12.84 0.65 -0.86 0.00 0.00 -1.92 -3.00 119.26 126.97 1wj2 h ALA 449 Ca -0.37 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.36 1wj2 h ALA 449 Cb 1.19 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1wj2 h ALA 449 CO 1.00 0.37 0.46 1.79 0.00 0.00 0.00 179.25 182.87 1wj2 h THR 450 N 0.00 0.75 -2.84 0.00 1.35 -1.89 -3.42 112.91 106.87 1wj2 h THR 450 Ca -0.05 -0.23 -0.47 0.00 -0.55 0.00 0.00 66.41 65.12 1wj2 h THR 450 Cb 1.24 0.03 0.02 0.00 -1.73 0.00 0.00 68.15 67.71 1wj2 h THR 450 CO 0.02 0.12 -0.10 -0.62 -0.25 0.00 0.00 175.52 174.69 1wj2 s ASP 451 N -5.45 5.99 0.55 5.36 2.15 -1.26 -4.97 116.67 119.03 1wj2 s ASP 451 Ca -0.12 0.39 0.30 0.00 0.43 0.00 0.00 52.55 53.55 1wj2 s ASP 451 Cb 0.22 -1.72 1.47 0.00 -0.30 0.00 0.00 42.92 42.58 1wj2 s ASP 451 CO 0.78 -0.59 1.90 -0.65 -0.17 0.00 0.00 175.17 176.44 1wj2 h PRO 452 N 0.47 0.00 -0.16 4.34 0.11 -1.88 -3.37 132.00 131.51 1wj2 h PRO 452 Ca -0.47 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1wj2 h PRO 452 Cb 1.24 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.19 1wj2 h PRO 452 CO 0.59 0.00 -0.11 0.15 -0.21 0.00 0.00 178.00 178.42 1wj2 s LYS 453 N -4.91 0.17 -0.15 1.05 1.02 -1.26 -5.09 119.74 110.57 1wj2 s LYS 453 Ca -0.05 -0.15 -0.01 0.00 0.02 0.00 0.00 55.97 55.78 1wj2 s LYS 453 Cb 0.20 -0.00 -0.01 0.00 -0.52 0.00 0.00 37.83 37.49 1wj2 s LYS 453 CO 0.73 -0.21 -0.11 0.00 -0.92 0.00 0.00 175.35 174.83 1wj2 s ALA 454 N 1.16 2.68 -0.35 5.17 0.00 -1.13 -5.04 121.76 124.24 1wj2 s ALA 454 Ca 0.22 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1wj2 s ALA 454 Cb 0.12 -1.31 0.12 0.00 0.00 0.00 0.00 23.12 22.04 1wj2 s ALA 454 CO -0.12 0.14 0.15 0.08 0.00 0.00 0.00 175.76 176.02 1wj2 s VAL 455 N 0.52 0.87 -0.02 0.00 1.01 -1.26 0.10 120.40 121.62 1wj2 s VAL 455 Ca -0.08 -1.73 -0.20 0.00 0.00 0.00 0.00 61.98 59.98 1wj2 s VAL 455 Cb -0.15 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1wj2 s VAL 455 CO 0.04 -0.78 0.57 0.54 0.00 0.00 0.00 175.10 175.47 1wj2 s VAL 456 N 1.22 4.97 0.22 2.92 0.11 -0.46 -4.94 120.40 124.44 1wj2 s VAL 456 Ca 0.13 1.19 0.09 0.00 -2.93 0.00 0.00 61.98 60.46 1wj2 s VAL 456 Cb -0.20 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1wj2 s VAL 456 CO -0.15 0.40 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.06 1wj2 s THR 457 N -0.06 3.21 -0.19 5.04 2.01 -1.26 -1.10 115.64 123.29 1wj2 s THR 457 Ca 0.30 -1.82 -0.05 0.00 0.31 0.00 0.00 61.69 60.43 1wj2 s THR 457 Cb -0.18 -2.64 0.07 0.00 0.01 0.00 0.00 72.50 69.76 1wj2 s THR 457 CO 0.16 -0.23 0.11 -0.89 -0.69 0.00 0.00 174.62 173.08 1wj2 s THR 458 N -2.00 -0.11 0.19 -0.82 2.01 -0.66 -4.97 115.64 109.28 1wj2 s THR 458 Ca 0.28 -0.22 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 1wj2 s THR 458 Cb -0.08 -0.63 -0.07 0.00 0.01 0.00 0.00 72.50 71.74 1wj2 s THR 458 CO 0.17 -0.32 0.59 -0.31 -0.69 0.00 0.00 174.62 174.06 1wj2 s TYR 459 N 2.16 3.54 -0.35 4.92 2.02 -1.26 -1.25 117.35 127.13 1wj2 s TYR 459 Ca 0.03 1.07 -0.00 0.00 -0.37 0.00 0.00 57.07 57.80 1wj2 s TYR 459 Cb -0.16 -2.39 0.13 0.00 -0.40 0.00 0.00 41.96 39.15 1wj2 s TYR 459 CO -0.12 0.34 0.20 -1.21 -1.57 0.00 0.00 175.55 173.19 1wj2 s GLU 460 N -2.28 0.54 0.00 -0.62 2.02 -0.05 -4.99 118.70 113.32 1wj2 s GLU 460 Ca 0.42 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1wj2 s GLU 460 Cb -0.14 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 32.76 1wj2 s GLU 460 CO 0.20 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.70 1wj2 n GLY 461 N 4.18 0.78 3.01 -1.39 0.00 -1.26 -2.86 105.19 107.64 1wj2 n GLY 461 Ca 0.09 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 1wj2 n GLY 461 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj2 s LYS 462 N -0.91 0.53 0.15 1.61 1.02 -1.26 -5.02 119.74 115.86 1wj2 s LYS 462 Ca 0.00 -0.41 -0.25 0.00 0.02 0.00 0.00 55.97 55.33 1wj2 s LYS 462 Cb 0.00 -0.45 -0.08 0.00 -0.52 0.00 0.00 37.83 36.78 1wj2 s LYS 462 CO 0.00 0.11 0.77 -1.01 -0.92 0.00 0.00 175.35 174.30 1wj2 s HIS 463 N -0.55 3.89 -0.23 3.18 3.76 -1.26 -4.92 115.29 119.15 1wj2 s HIS 463 Ca -0.01 1.61 0.22 0.00 -0.15 0.00 0.00 55.06 56.73 1wj2 s HIS 463 Cb -0.05 -2.76 0.49 0.00 1.11 0.00 0.00 32.58 31.36 1wj2 s HIS 463 CO 0.00 0.50 1.15 0.27 -0.85 0.00 0.00 174.74 175.81 1wj2 n ASN 464 N 1.72 1.21 -4.30 1.40 0.23 -1.26 -5.10 115.26 109.16 1wj2 n ASN 464 Ca -0.06 -2.03 -0.16 0.00 -0.53 0.00 0.00 54.58 51.80 1wj2 n ASN 464 Cb 0.49 -0.35 -0.10 0.00 -2.08 0.00 0.00 39.78 37.74 1wj2 n ASN 464 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1wj2 s HIS 465 N -2.99 1.45 0.53 -2.53 -3.43 -1.26 -5.03 115.29 102.03 1wj2 s HIS 465 Ca 0.26 -1.15 -0.09 0.00 -0.80 0.00 0.00 55.06 53.28 1wj2 s HIS 465 Cb 0.34 -0.84 -0.04 0.00 -1.43 0.00 0.00 32.58 30.60 1wj2 s HIS 465 CO -0.06 -0.31 0.89 -0.51 -2.00 0.00 0.00 174.74 172.75 1wj2 s ASP 466 N -3.28 6.31 0.25 7.38 1.01 -1.26 -5.04 116.67 122.04 1wj2 s ASP 466 Ca 0.35 1.19 -0.30 0.00 0.71 0.00 0.00 52.55 54.50 1wj2 s ASP 466 Cb 0.07 -2.36 -0.09 0.00 1.01 0.00 0.00 42.92 41.55 1wj2 s ASP 466 CO 0.11 -0.67 1.15 -0.76 0.21 0.00 0.00 175.17 175.21 1wj2 s LEU 467 N -4.75 4.51 0.80 1.23 1.02 -1.26 -5.02 118.68 115.20 1wj2 s LEU 467 Ca 0.52 2.29 -0.11 0.00 0.02 0.00 0.00 54.13 56.85 1wj2 s LEU 467 Cb -0.11 -3.62 0.07 0.00 0.02 0.00 0.00 46.19 42.55 1wj2 s LEU 467 CO 0.46 -0.25 1.09 -2.16 0.02 0.00 0.00 176.35 175.51 1wj2 s PRO 468 N -1.05 2.06 0.00 1.29 0.04 -1.26 -5.22 135.00 130.86 1wj2 s PRO 468 Ca 0.48 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1wj2 s PRO 468 Cb -0.33 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1wj2 s PRO 468 CO 0.40 -1.76 0.16 0.00 0.04 0.00 0.00 177.00 175.85