#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 0.83 -0.08 5.55 1.11 -1.26 -4.93 119.66 120.89 1wj2 s GLN 400 Ca 0.00 -1.50 0.04 0.00 0.01 0.00 0.00 55.36 53.91 1wj2 s GLN 400 Cb 0.00 -1.79 -0.07 0.00 -1.01 0.00 0.00 33.01 30.14 1wj2 s GLN 400 CO 0.00 -1.15 -0.02 0.25 0.01 0.00 0.00 175.29 174.38 1wj2 n THR 401 N 4.05 0.49 -4.39 -0.19 -2.24 -1.26 -5.08 114.28 105.66 1wj2 n THR 401 Ca 0.07 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1wj2 n THR 401 Cb 0.37 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 1wj2 n THR 401 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wj2 n THR 402 N -2.48 0.00 -4.03 4.28 -2.24 -1.26 -5.15 114.28 103.41 1wj2 n THR 402 Ca -0.13 -2.29 -0.34 0.00 -2.27 0.00 0.00 64.05 59.02 1wj2 n THR 402 Cb 0.70 0.96 -0.15 0.00 -2.10 0.00 0.00 70.33 69.74 1wj2 n THR 402 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wj2 s SER 403 N -3.32 3.65 -0.28 3.42 0.15 -1.26 -5.07 113.70 110.99 1wj2 s SER 403 Ca 0.28 -0.55 -0.29 0.00 0.70 0.00 0.00 55.95 56.09 1wj2 s SER 403 Cb 0.01 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.70 1wj2 s SER 403 CO 0.19 -0.01 1.81 -1.61 1.20 0.00 0.00 173.24 174.82 1wj2 s GLU 404 N 1.37 3.45 -0.63 5.44 2.02 -1.26 -4.90 118.70 124.19 1wj2 s GLU 404 Ca 0.05 1.60 -0.26 0.00 0.02 0.00 0.00 54.97 56.38 1wj2 s GLU 404 Cb -0.14 -4.18 -0.05 0.00 0.10 0.00 0.00 34.13 29.87 1wj2 s GLU 404 CO -0.09 -1.72 2.06 0.14 0.02 0.00 0.00 175.26 175.67 1wj2 s VAL 405 N 6.56 3.25 0.60 2.63 -7.23 -1.26 -4.96 120.40 120.00 1wj2 s VAL 405 Ca 0.81 0.06 -0.10 0.00 -1.81 0.00 0.00 61.98 60.93 1wj2 s VAL 405 Cb -0.25 -3.64 0.14 0.00 0.56 0.00 0.00 36.38 33.19 1wj2 s VAL 405 CO 0.33 -0.62 0.77 0.47 -0.31 0.00 0.00 175.10 175.75 1wj2 n ASP 406 N 14.18 -0.19 -4.58 4.85 9.92 -1.26 -5.02 116.55 134.45 1wj2 n ASP 406 Ca 0.29 -1.23 -0.41 0.00 -0.53 0.00 0.00 54.79 52.91 1wj2 n ASP 406 Cb 0.52 -0.61 -0.08 0.00 -0.64 0.00 0.00 41.12 40.31 1wj2 n ASP 406 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1wj2 s LEU 407 N 0.00 4.20 -0.14 0.64 1.98 -1.26 -5.05 118.68 119.05 1wj2 s LEU 407 Ca 0.45 0.23 -0.21 0.00 -2.89 0.00 0.00 54.13 51.70 1wj2 s LEU 407 Cb -0.02 -2.64 -0.03 0.00 0.66 0.00 0.00 46.19 44.17 1wj2 s LEU 407 CO 0.32 -0.41 0.63 -0.76 -1.89 0.00 0.00 176.35 174.24 1wj2 s LEU 408 N 2.39 4.22 -0.79 -0.68 1.43 -1.26 -4.97 118.68 119.02 1wj2 s LEU 408 Ca 0.20 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 53.99 1wj2 s LEU 408 Cb -0.15 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.05 1wj2 s LEU 408 CO 0.12 -0.18 2.22 -0.62 0.23 0.00 0.00 176.35 178.12 1wj2 s ASP 409 N 0.97 4.44 0.00 2.29 -1.08 -1.26 -4.57 116.67 117.46 1wj2 s ASP 409 Ca 0.31 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1wj2 s ASP 409 Cb -0.16 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1wj2 s ASP 409 CO 0.13 -3.32 0.00 0.47 0.52 0.00 0.00 175.17 172.97 1wj2 n ASP 410 N 16.51 0.00 0.00 -0.34 8.00 -1.26 -5.03 116.55 134.43 1wj2 n ASP 410 Ca 0.42 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1wj2 n ASP 410 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1wj2 n ASP 410 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wj2 n GLY 411 N 3.29 -0.42 3.42 0.44 0.00 -1.26 -4.86 105.19 105.79 1wj2 n GLY 411 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.91 1.75 -0.75 1.61 1.51 -1.26 -4.36 117.35 114.94 1wj2 s TYR 412 Ca 0.00 -1.18 -0.21 0.00 -1.01 0.00 0.00 57.07 54.67 1wj2 s TYR 412 Cb 0.00 -1.08 0.09 0.00 -0.11 0.00 0.00 41.96 40.86 1wj2 s TYR 412 CO 0.00 -0.26 1.00 0.50 -1.11 0.00 0.00 175.55 175.68 1wj2 s ARG 413 N -3.85 3.27 0.44 -0.62 3.52 -1.26 -4.88 118.95 115.57 1wj2 s ARG 413 Ca 0.33 -1.20 0.08 0.00 -0.13 0.00 0.00 55.73 54.81 1wj2 s ARG 413 Cb 0.06 -4.48 0.01 0.00 -1.56 0.00 0.00 34.95 28.98 1wj2 s ARG 413 CO 0.15 -1.78 0.54 -1.58 -0.81 0.00 0.00 175.30 171.82 1wj2 s TRP 414 N 3.48 2.59 -0.18 5.12 0.52 -1.26 -1.82 118.94 127.39 1wj2 s TRP 414 Ca 0.25 -0.48 -0.24 0.00 0.02 0.00 0.00 56.10 55.65 1wj2 s TRP 414 Cb -0.13 -2.29 0.06 0.00 -1.15 0.00 0.00 33.47 29.96 1wj2 s TRP 414 CO 0.03 -0.42 0.63 0.50 0.02 0.00 0.00 176.95 177.71 1wj2 s ARG 415 N -4.32 0.82 -0.10 4.98 3.00 -0.37 -4.81 118.95 118.15 1wj2 s ARG 415 Ca 0.53 0.66 -0.24 0.00 -1.00 0.00 0.00 55.73 55.68 1wj2 s ARG 415 Cb -0.07 0.39 -0.03 0.00 0.00 0.00 0.00 34.95 35.24 1wj2 s ARG 415 CO 0.32 -0.16 0.76 0.21 0.00 0.00 0.00 175.30 176.43 1wj2 s LYS 416 N -0.15 4.39 -0.09 5.12 2.20 -1.26 -2.09 119.74 127.86 1wj2 s LYS 416 Ca -0.04 0.95 0.04 0.00 -0.36 0.00 0.00 55.97 56.57 1wj2 s LYS 416 Cb -0.03 -3.49 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 1wj2 s LYS 416 CO 0.03 -0.08 -0.02 2.48 -0.36 0.00 0.00 175.35 177.40 1wj2 n TYR 417 N 4.28 0.00 -3.83 4.03 4.11 -1.23 -5.05 117.16 119.48 1wj2 n TYR 417 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.84 1wj2 n TYR 417 Cb 0.50 -0.39 0.02 0.00 -0.00 0.00 0.00 39.34 39.48 1wj2 n TYR 417 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1wj2 s GLY 418 N -4.40 0.27 0.11 -7.48 0.00 -1.26 -5.13 107.32 89.44 1wj2 s GLY 418 Ca -0.08 -0.61 -0.26 0.00 0.00 0.00 0.00 44.72 43.77 1wj2 s GLY 418 CO 0.29 0.40 1.06 -0.86 0.00 0.00 0.00 173.10 173.99 1wj2 s GLN 419 N -2.36 0.97 0.19 2.90 0.00 -1.26 -2.85 119.66 117.25 1wj2 s GLN 419 Ca 0.17 -0.54 0.01 0.00 -0.00 0.00 0.00 55.36 55.00 1wj2 s GLN 419 Cb -0.04 0.32 -0.00 0.00 0.00 0.00 0.00 33.01 33.29 1wj2 s GLN 419 CO 0.09 -0.44 0.23 0.36 0.00 0.00 0.00 175.29 175.53 1wj2 n LYS 420 N -0.50 0.34 -4.90 9.60 -0.00 -1.25 -5.03 118.16 116.42 1wj2 n LYS 420 Ca -0.06 -1.66 -0.31 0.00 -0.00 0.00 0.00 58.31 56.27 1wj2 n LYS 420 Cb 0.61 1.51 -0.14 0.00 -0.00 0.00 0.00 35.03 37.02 1wj2 n LYS 420 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wj2 s VAL 421 N -2.68 2.62 -0.15 0.58 0.11 -1.26 -1.61 120.40 118.00 1wj2 s VAL 421 Ca 0.18 -1.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.01 1wj2 s VAL 421 Cb 0.00 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 1wj2 s VAL 421 CO 0.13 0.47 0.40 -0.69 -3.33 0.00 0.00 175.10 172.08 1wj2 s VAL 422 N -0.79 5.23 -0.39 2.04 1.01 -1.26 -4.89 120.40 121.35 1wj2 s VAL 422 Ca 0.12 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1wj2 s VAL 422 Cb -0.10 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1wj2 s VAL 422 CO 0.02 0.33 1.21 -0.54 0.00 0.00 0.00 175.10 176.12 1wj2 s LYS 423 N 0.75 3.81 0.00 2.72 -0.14 -1.26 -3.19 119.74 122.43 1wj2 s LYS 423 Ca 0.21 0.89 0.00 0.00 -1.36 0.00 0.00 55.97 55.71 1wj2 s LYS 423 Cb -0.14 -3.89 0.00 0.00 -1.68 0.00 0.00 37.83 32.12 1wj2 s LYS 423 CO 0.08 -1.26 0.00 0.41 -0.76 0.00 0.00 175.35 173.81 1wj2 n GLY 424 N 4.57 1.92 3.83 -3.33 0.00 -1.26 -5.07 105.19 105.85 1wj2 n GLY 424 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.07 6.08 0.18 1.61 0.01 -1.19 -5.01 114.94 116.54 1wj2 s ASN 425 Ca 0.00 0.38 0.01 0.00 -0.71 0.00 0.00 52.86 52.54 1wj2 s ASN 425 Cb 0.00 -1.91 0.05 0.00 0.41 0.00 0.00 41.25 39.80 1wj2 s ASN 425 CO 0.00 0.40 1.42 1.55 -1.51 0.00 0.00 177.10 178.96 1wj2 h PRO 426 N 5.04 0.30 -6.15 -0.60 0.13 -1.98 -3.42 132.00 125.32 1wj2 h PRO 426 Ca -0.54 -0.27 -0.57 0.00 -0.87 0.00 0.00 66.00 63.75 1wj2 h PRO 426 Cb 1.22 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1wj2 h PRO 426 CO 0.57 0.94 0.86 0.71 -0.23 0.00 0.00 178.00 180.85 1wj2 s TYR 427 N -3.45 2.99 0.89 1.56 2.02 -1.26 -5.01 117.35 115.09 1wj2 s TYR 427 Ca -0.04 1.13 -0.12 0.00 -0.37 0.00 0.00 57.07 57.68 1wj2 s TYR 427 Cb 0.10 -3.44 0.12 0.00 -0.40 0.00 0.00 41.96 38.35 1wj2 s TYR 427 CO 0.83 -1.38 1.09 -1.25 -1.57 0.00 0.00 175.55 173.27 1wj2 s PRO 428 N 3.30 1.33 0.35 -1.71 0.04 -1.26 -4.55 135.00 132.50 1wj2 s PRO 428 Ca 0.52 0.77 -0.07 0.00 0.04 0.00 0.00 61.00 62.26 1wj2 s PRO 428 Cb -0.20 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1wj2 s PRO 428 CO 0.13 -2.18 0.66 1.03 0.04 0.00 0.00 177.00 176.68 1wj2 s ARG 429 N -4.97 3.69 -0.02 4.56 1.81 -0.64 -4.78 118.95 118.60 1wj2 s ARG 429 Ca 0.63 0.21 0.01 0.00 -1.72 0.00 0.00 55.73 54.86 1wj2 s ARG 429 Cb -0.17 -2.52 0.01 0.00 -0.45 0.00 0.00 34.95 31.81 1wj2 s ARG 429 CO 0.56 0.08 -0.03 -1.12 -0.68 0.00 0.00 175.30 174.12 1wj2 s SER 430 N -3.23 0.55 -0.14 0.23 0.01 -1.17 -3.81 113.70 106.14 1wj2 s SER 430 Ca 0.47 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.68 1wj2 s SER 430 Cb -0.10 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 65.97 1wj2 s SER 430 CO 0.31 -0.01 -0.20 -0.31 0.41 0.00 0.00 173.24 173.44 1wj2 s TYR 431 N 0.39 2.51 0.44 2.43 2.02 -1.13 -1.61 117.35 122.40 1wj2 s TYR 431 Ca -0.04 -1.28 0.03 0.00 -0.37 0.00 0.00 57.07 55.41 1wj2 s TYR 431 Cb -0.07 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1wj2 s TYR 431 CO -0.01 -0.61 0.04 0.71 -1.57 0.00 0.00 175.55 174.12 1wj2 s TYR 432 N 0.92 1.98 -0.28 2.71 2.02 -0.95 -3.49 117.35 120.27 1wj2 s TYR 432 Ca -0.05 -0.99 -0.20 0.00 -0.37 0.00 0.00 57.07 55.46 1wj2 s TYR 432 Cb -0.15 -1.48 0.12 0.00 -0.40 0.00 0.00 41.96 40.04 1wj2 s TYR 432 CO -0.03 0.11 0.91 -1.59 -1.57 0.00 0.00 175.55 173.38 1wj2 s LYS 433 N -3.80 0.54 -0.83 -0.62 -2.85 -0.89 -1.30 119.74 109.99 1wj2 s LYS 433 Ca 0.20 0.78 -0.25 0.00 -1.00 0.00 0.00 55.97 55.70 1wj2 s LYS 433 Cb 0.04 0.19 -0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1wj2 s LYS 433 CO 0.11 -0.09 1.73 0.00 0.10 0.00 0.00 175.35 177.20 1wj2 n THR 435 N 7.29 4.58 -3.66 0.00 5.66 -0.76 -2.71 114.28 124.69 1wj2 n THR 435 Ca 0.28 -4.81 -0.20 0.00 -3.05 0.00 0.00 64.05 56.28 1wj2 n THR 435 Cb 0.49 -2.31 -0.01 0.00 -1.55 0.00 0.00 70.33 66.96 1wj2 n THR 435 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wj2 s THR 436 N -0.31 4.51 -0.86 1.09 2.01 -0.95 -4.95 115.64 116.19 1wj2 s THR 436 Ca 0.38 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 1wj2 s THR 436 Cb 0.07 -3.57 -0.21 0.00 0.01 0.00 0.00 72.50 68.80 1wj2 s THR 436 CO 0.03 -0.22 2.29 -2.65 -0.69 0.00 0.00 174.62 173.37 1wj2 n PRO 437 N -1.55 0.34 0.00 4.92 -0.02 -1.26 -0.61 135.00 136.82 1wj2 n PRO 437 Ca -0.03 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 1wj2 n PRO 437 Cb 0.58 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1wj2 n PRO 437 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wj2 n GLY 438 N 6.30 2.80 3.75 -1.23 0.00 -1.26 -4.97 105.19 110.57 1wj2 n GLY 438 Ca 0.53 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 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 2.49 3.82 3.87 0.00 0.00 -1.24 -2.23 105.19 111.88 1wj2 n GLY 440 Ca -0.03 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.48 4.92 0.08 1.61 1.01 -1.10 -4.91 120.40 119.52 1wj2 s VAL 441 Ca 0.40 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.98 1wj2 s VAL 441 Cb 0.29 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1wj2 s VAL 441 CO -0.09 -0.02 -0.17 -0.13 0.00 0.00 0.00 175.10 174.69 1wj2 s ARG 442 N -2.68 0.95 0.03 2.72 0.52 -0.80 0.10 118.95 119.80 1wj2 s ARG 442 Ca 0.46 -1.01 -0.05 0.00 -0.52 0.00 0.00 55.73 54.61 1wj2 s ARG 442 Cb -0.12 -1.05 -0.01 0.00 0.52 0.00 0.00 34.95 34.29 1wj2 s ARG 442 CO 0.21 0.24 0.09 -1.59 0.02 0.00 0.00 175.30 174.26 1wj2 s LYS 443 N -1.73 0.56 -0.14 3.54 -2.85 -0.42 -0.34 119.74 118.36 1wj2 s LYS 443 Ca 0.01 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 1wj2 s LYS 443 Cb -0.10 0.22 0.02 0.00 -2.06 0.00 0.00 37.83 35.91 1wj2 s LYS 443 CO 0.03 -0.14 -0.14 -1.01 0.10 0.00 0.00 175.35 174.19 1wj2 s HIS 444 N -2.50 2.13 -0.53 1.78 3.76 -0.89 -2.23 115.29 116.80 1wj2 s HIS 444 Ca -0.06 -1.18 -0.16 0.00 -0.15 0.00 0.00 55.06 53.52 1wj2 s HIS 444 Cb -0.02 -1.57 0.13 0.00 1.11 0.00 0.00 32.58 32.23 1wj2 s HIS 444 CO -0.04 -0.65 0.49 0.08 -0.85 0.00 0.00 174.74 173.77 1wj2 s VAL 445 N 1.45 5.15 -0.12 -0.90 1.01 -0.63 -1.88 120.40 124.48 1wj2 s VAL 445 Ca 0.04 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.47 1wj2 s VAL 445 Cb -0.13 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1wj2 s VAL 445 CO -0.10 -0.85 0.08 -0.70 0.00 0.00 0.00 175.10 173.53 1wj2 s GLU 446 N 1.59 3.36 -0.31 2.72 -6.30 -0.25 -3.06 118.70 116.45 1wj2 s GLU 446 Ca 0.03 -0.26 -0.12 0.00 -2.50 0.00 0.00 54.97 52.12 1wj2 s GLU 446 Cb -0.30 -3.05 -0.03 0.00 0.00 0.00 0.00 34.13 30.75 1wj2 s GLU 446 CO 0.03 0.67 0.22 1.03 0.02 0.00 0.00 175.26 177.23 1wj2 s ARG 447 N -0.75 3.73 -0.27 4.30 0.52 -1.26 -1.06 118.95 124.16 1wj2 s ARG 447 Ca 0.13 -0.47 -0.28 0.00 -0.52 0.00 0.00 55.73 54.59 1wj2 s ARG 447 Cb -0.12 -3.73 0.01 0.00 0.52 0.00 0.00 34.95 31.63 1wj2 s ARG 447 CO 0.03 -0.32 0.99 0.00 0.02 0.00 0.00 175.30 176.02 1wj2 s ALA 448 N 1.76 3.61 -0.29 2.13 0.00 -0.30 -4.91 121.76 123.76 1wj2 s ALA 448 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 51.96 52.23 1wj2 s ALA 448 Cb -0.17 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.59 1wj2 s ALA 448 CO 0.11 -1.18 1.43 0.00 0.00 0.00 0.00 175.76 176.12 1wj2 h ALA 449 N 7.74 0.79 -0.94 0.00 0.00 -1.97 -3.03 119.26 121.86 1wj2 h ALA 449 Ca -0.21 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.64 1wj2 h ALA 449 Cb 1.07 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 1wj2 h ALA 449 CO 0.97 0.31 0.53 1.79 0.00 0.00 0.00 179.25 182.85 1wj2 h THR 450 N 0.00 0.71 -2.05 0.00 1.35 -1.97 -3.42 112.91 107.53 1wj2 h THR 450 Ca -0.01 -0.24 -0.45 0.00 -0.55 0.00 0.00 66.41 65.16 1wj2 h THR 450 Cb 1.19 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1wj2 h THR 450 CO 0.03 0.13 -0.33 -0.62 -0.25 0.00 0.00 175.52 174.48 1wj2 s ASP 451 N -5.42 6.05 0.56 5.36 2.15 -1.25 -4.98 116.67 119.15 1wj2 s ASP 451 Ca -0.12 -0.04 0.30 0.00 0.43 0.00 0.00 52.55 53.12 1wj2 s ASP 451 Cb 0.24 -1.45 1.46 0.00 -0.30 0.00 0.00 42.92 42.86 1wj2 s ASP 451 CO 0.79 -0.37 1.87 -0.65 -0.17 0.00 0.00 175.17 176.64 1wj2 h PRO 452 N 0.89 0.00 -0.03 4.34 0.11 -1.87 -3.36 132.00 132.08 1wj2 h PRO 452 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1wj2 h PRO 452 Cb 1.25 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1wj2 h PRO 452 CO 0.56 0.00 -0.04 0.36 -0.21 0.00 0.00 178.00 178.67 1wj2 n LYS 453 N -3.96 0.03 -3.70 1.05 2.85 -1.26 -5.08 118.16 108.09 1wj2 n LYS 453 Ca 0.14 -0.57 -0.33 0.00 -1.05 0.00 0.00 58.31 56.49 1wj2 n LYS 453 Cb 0.85 0.22 -0.05 0.00 -0.65 0.00 0.00 35.03 35.40 1wj2 n LYS 453 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wj2 s ALA 454 N 0.63 3.81 -0.33 0.58 0.00 -1.14 -5.00 121.76 120.32 1wj2 s ALA 454 Ca 0.24 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1wj2 s ALA 454 Cb 0.17 -2.11 0.11 0.00 0.00 0.00 0.00 23.12 21.29 1wj2 s ALA 454 CO -0.10 0.66 0.15 0.08 0.00 0.00 0.00 175.76 176.55 1wj2 s VAL 455 N -1.48 0.63 -0.18 0.00 1.01 -1.26 -1.15 120.40 117.97 1wj2 s VAL 455 Ca 0.35 -1.50 -0.15 0.00 0.00 0.00 0.00 61.98 60.68 1wj2 s VAL 455 Cb -0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1wj2 s VAL 455 CO 0.21 -0.78 0.37 0.54 0.00 0.00 0.00 175.10 175.44 1wj2 s VAL 456 N 1.43 5.24 0.25 2.92 0.11 -0.22 -4.96 120.40 125.16 1wj2 s VAL 456 Ca 0.12 0.68 0.09 0.00 -2.93 0.00 0.00 61.98 59.94 1wj2 s VAL 456 Cb -0.19 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 1wj2 s VAL 456 CO -0.19 0.31 0.02 -0.89 -3.33 0.00 0.00 175.10 171.02 1wj2 s THR 457 N 0.93 3.61 -0.29 5.04 2.01 -1.26 -1.09 115.64 124.58 1wj2 s THR 457 Ca 0.19 -1.80 -0.03 0.00 0.31 0.00 0.00 61.69 60.36 1wj2 s THR 457 Cb -0.14 -2.92 0.11 0.00 0.01 0.00 0.00 72.50 69.56 1wj2 s THR 457 CO 0.07 -0.34 0.16 -0.89 -0.69 0.00 0.00 174.62 172.92 1wj2 s THR 458 N -2.23 -0.13 0.14 -0.82 2.01 -0.79 -4.96 115.64 108.87 1wj2 s THR 458 Ca 0.31 -0.71 -0.27 0.00 0.31 0.00 0.00 61.69 61.33 1wj2 s THR 458 Cb -0.07 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.39 1wj2 s THR 458 CO 0.20 -0.68 0.85 -0.31 -0.69 0.00 0.00 174.62 173.99 1wj2 s TYR 459 N 2.14 3.86 -0.27 4.92 1.51 -1.26 -2.09 117.35 126.16 1wj2 s TYR 459 Ca 0.09 1.69 -0.03 0.00 -1.01 0.00 0.00 57.07 57.81 1wj2 s TYR 459 Cb -0.16 -2.89 0.09 0.00 -0.11 0.00 0.00 41.96 38.90 1wj2 s TYR 459 CO -0.36 0.38 0.11 -1.21 -1.11 0.00 0.00 175.55 173.36 1wj2 s GLU 460 N -0.64 0.32 0.00 -0.62 0.41 0.54 -5.00 118.70 113.71 1wj2 s GLU 460 Ca 0.40 -0.57 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 1wj2 s GLU 460 Cb -0.23 -1.51 0.00 0.00 -1.78 0.00 0.00 34.13 30.61 1wj2 s GLU 460 CO 0.27 -0.93 0.00 0.41 -0.49 0.00 0.00 175.26 174.52 1wj2 n GLY 461 N 5.15 3.72 3.76 -1.39 0.00 -1.26 -1.90 105.19 113.27 1wj2 n GLY 461 Ca -0.06 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 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 -4.15 3.56 0.24 1.61 3.01 -1.26 -4.88 119.74 117.87 1wj2 s LYS 462 Ca 0.00 -0.25 -0.30 0.00 -1.01 0.00 0.00 55.97 54.41 1wj2 s LYS 462 Cb 0.00 -3.14 -0.10 0.00 -1.01 0.00 0.00 37.83 33.58 1wj2 s LYS 462 CO 0.00 0.59 1.41 -1.01 0.51 0.00 0.00 175.35 176.85 1wj2 s HIS 463 N -0.51 3.06 -0.35 3.18 3.76 -1.26 -4.82 115.29 118.34 1wj2 s HIS 463 Ca 0.11 1.07 0.07 0.00 -0.15 0.00 0.00 55.06 56.16 1wj2 s HIS 463 Cb -0.12 -3.78 0.54 0.00 1.11 0.00 0.00 32.58 30.33 1wj2 s HIS 463 CO 0.02 -2.51 1.59 0.09 -0.85 0.00 0.00 174.74 173.08 1wj2 n ASN 464 N 2.31 3.26 -4.04 1.40 3.02 -1.26 -4.99 115.26 114.97 1wj2 n ASN 464 Ca 0.06 -3.76 -0.10 0.00 -0.03 0.00 0.00 54.58 50.76 1wj2 n ASN 464 Cb 0.41 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.82 1wj2 n ASN 464 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1wj2 s HIS 465 N -3.33 0.55 0.44 3.10 -3.43 -1.26 -4.83 115.29 106.54 1wj2 s HIS 465 Ca 0.49 -0.88 -0.21 0.00 -0.80 0.00 0.00 55.06 53.66 1wj2 s HIS 465 Cb 0.43 -0.03 -0.10 0.00 -1.43 0.00 0.00 32.58 31.45 1wj2 s HIS 465 CO 0.02 -0.86 0.97 -0.51 -2.00 0.00 0.00 174.74 172.37 1wj2 s ASP 466 N -3.04 6.78 0.07 7.38 1.01 -1.26 -4.98 116.67 122.64 1wj2 s ASP 466 Ca 0.25 1.76 -0.31 0.00 0.71 0.00 0.00 52.55 54.97 1wj2 s ASP 466 Cb 0.02 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 1wj2 s ASP 466 CO 0.08 -0.47 1.85 -0.76 0.21 0.00 0.00 175.17 176.07 1wj2 s LEU 467 N -3.25 4.40 0.00 1.23 1.43 -1.26 -4.99 118.68 116.25 1wj2 s LEU 467 Ca 0.63 2.66 -0.17 0.00 -1.03 0.00 0.00 54.13 56.22 1wj2 s LEU 467 Cb -0.11 -3.55 0.25 0.00 0.03 0.00 0.00 46.19 42.81 1wj2 s LEU 467 CO 0.15 -1.01 0.97 -0.81 0.23 0.00 0.00 176.35 175.89 1wj2 n PRO 468 N 6.45 -2.58 0.00 1.29 -0.04 -1.26 -5.18 135.00 133.69 1wj2 n PRO 468 Ca 0.18 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1wj2 n PRO 468 Cb 0.40 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46