#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 0.62 -0.29 5.55 0.74 -1.26 -5.14 119.66 119.88 1wj2 s GLN 400 Ca 0.00 0.86 0.01 0.00 0.05 0.00 0.00 55.36 56.28 1wj2 s GLN 400 Cb 0.00 0.23 0.19 0.00 1.10 0.00 0.00 33.01 34.52 1wj2 s GLN 400 CO 0.00 -0.11 0.56 0.95 -0.55 0.00 0.00 175.29 176.15 1wj2 s THR 401 N 0.73 -0.94 -0.33 -0.34 -4.23 -1.26 -5.11 115.64 104.16 1wj2 s THR 401 Ca -0.03 -0.02 0.05 0.00 -1.18 0.00 0.00 61.69 60.50 1wj2 s THR 401 Cb -0.05 -0.98 0.18 0.00 1.34 0.00 0.00 72.50 72.99 1wj2 s THR 401 CO -0.05 -0.03 0.52 0.42 -0.54 0.00 0.00 174.62 174.94 1wj2 s THR 402 N 2.80 -0.80 -0.40 3.99 -4.23 -1.26 -5.09 115.64 110.65 1wj2 s THR 402 Ca 0.16 -0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1wj2 s THR 402 Cb -0.13 -0.70 0.14 0.00 1.34 0.00 0.00 72.50 73.14 1wj2 s THR 402 CO -0.22 -0.16 0.22 -0.94 -0.54 0.00 0.00 174.62 172.98 1wj2 s SER 403 N 2.31 3.39 -0.59 3.99 1.04 -1.26 -5.08 113.70 117.51 1wj2 s SER 403 Ca 0.12 -2.40 -0.17 0.00 0.48 0.00 0.00 55.95 53.98 1wj2 s SER 403 Cb -0.10 -0.77 0.13 0.00 0.10 0.00 0.00 66.02 65.38 1wj2 s SER 403 CO -0.19 -0.29 0.59 -1.61 0.98 0.00 0.00 173.24 172.71 1wj2 s GLU 404 N 0.70 3.07 -0.32 4.02 2.02 -1.26 -5.03 118.70 121.89 1wj2 s GLU 404 Ca 0.17 -1.68 -0.15 0.00 0.02 0.00 0.00 54.97 53.33 1wj2 s GLU 404 Cb -0.24 -4.31 -0.02 0.00 0.10 0.00 0.00 34.13 29.66 1wj2 s GLU 404 CO -0.00 -1.39 0.36 0.14 0.02 0.00 0.00 175.26 174.39 1wj2 s VAL 405 N 1.76 5.17 -0.11 2.63 -7.23 -1.26 -4.90 120.40 116.46 1wj2 s VAL 405 Ca 0.07 0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.49 1wj2 s VAL 405 Cb -0.26 -3.78 -0.12 0.00 0.56 0.00 0.00 36.38 32.77 1wj2 s VAL 405 CO 0.02 -0.03 0.01 0.47 -0.31 0.00 0.00 175.10 175.27 1wj2 n ASP 406 N 5.36 2.54 -4.57 4.85 8.00 -1.26 -4.94 116.55 126.53 1wj2 n ASP 406 Ca -0.09 -0.01 -0.39 0.00 0.71 0.00 0.00 54.79 55.01 1wj2 n ASP 406 Cb 0.50 0.62 -0.10 0.00 -0.02 0.00 0.00 41.12 42.11 1wj2 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wj2 s LEU 407 N -4.90 4.20 -0.44 0.64 1.43 -1.26 -5.05 118.68 113.30 1wj2 s LEU 407 Ca -0.07 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1wj2 s LEU 407 Cb 0.03 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 44.07 1wj2 s LEU 407 CO 0.40 -0.17 0.38 -1.48 0.23 0.00 0.00 176.35 175.72 1wj2 s LEU 408 N 1.86 5.24 0.13 1.79 2.34 -1.26 -5.06 118.68 123.72 1wj2 s LEU 408 Ca 0.09 -1.01 -0.21 0.00 0.06 0.00 0.00 54.13 53.05 1wj2 s LEU 408 Cb -0.16 -2.23 -0.07 0.00 -0.56 0.00 0.00 46.19 43.17 1wj2 s LEU 408 CO 0.11 -0.57 0.66 -0.62 -1.06 0.00 0.00 176.35 174.87 1wj2 s ASP 409 N 2.10 7.18 -0.13 1.48 2.15 -1.26 -4.94 116.67 123.24 1wj2 s ASP 409 Ca 0.07 1.42 0.05 0.00 0.43 0.00 0.00 52.55 54.51 1wj2 s ASP 409 Cb -0.21 -2.42 0.16 0.00 -0.30 0.00 0.00 42.92 40.16 1wj2 s ASP 409 CO 0.10 0.22 1.04 -0.67 -0.17 0.00 0.00 175.17 175.69 1wj2 n ASP 410 N 1.53 -0.95 0.00 -0.34 -0.08 -1.26 -5.04 116.55 110.41 1wj2 n ASP 410 Ca -0.08 -1.74 0.00 0.00 -1.51 0.00 0.00 54.79 51.47 1wj2 n ASP 410 Cb 0.50 0.38 0.00 0.00 2.34 0.00 0.00 41.12 44.34 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 -0.61 1.27 3.82 0.27 0.00 -1.26 -5.11 105.19 103.58 1wj2 n GLY 411 Ca -0.18 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 3.29 -0.43 1.61 2.02 -1.26 -4.03 117.35 118.55 1wj2 s TYR 412 Ca 0.00 0.12 -0.20 0.00 -0.37 0.00 0.00 57.07 56.62 1wj2 s TYR 412 Cb 0.00 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.93 1wj2 s TYR 412 CO 0.00 0.54 0.61 0.50 -1.57 0.00 0.00 175.55 175.63 1wj2 s ARG 413 N -2.51 3.30 0.34 -0.62 3.00 -1.26 -4.87 118.95 116.33 1wj2 s ARG 413 Ca 0.31 -0.38 0.08 0.00 -1.00 0.00 0.00 55.73 54.74 1wj2 s ARG 413 Cb -0.12 -3.94 -0.03 0.00 0.00 0.00 0.00 34.95 30.86 1wj2 s ARG 413 CO 0.24 -0.96 0.25 -1.58 0.00 0.00 0.00 175.30 173.25 1wj2 s TRP 414 N 2.71 2.83 -0.11 5.12 0.52 -1.26 -1.73 118.94 127.02 1wj2 s TRP 414 Ca 0.21 -0.33 -0.18 0.00 0.02 0.00 0.00 56.10 55.82 1wj2 s TRP 414 Cb -0.15 -1.76 0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1wj2 s TRP 414 CO 0.18 0.23 0.46 1.03 0.02 0.00 0.00 176.95 178.86 1wj2 s ARG 415 N -3.95 0.66 0.69 4.98 1.81 -0.88 -4.85 118.95 117.40 1wj2 s ARG 415 Ca 0.40 0.36 -0.12 0.00 -1.72 0.00 0.00 55.73 54.65 1wj2 s ARG 415 Cb -0.05 0.31 0.01 0.00 -0.45 0.00 0.00 34.95 34.77 1wj2 s ARG 415 CO 0.25 -0.14 1.07 0.21 -0.68 0.00 0.00 175.30 176.01 1wj2 s LYS 416 N -0.41 2.90 0.00 3.54 2.20 -1.26 -1.92 119.74 124.79 1wj2 s LYS 416 Ca -0.05 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 1wj2 s LYS 416 Cb -0.03 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 1wj2 s LYS 416 CO 0.03 -1.13 0.00 2.48 -0.36 0.00 0.00 175.35 176.37 1wj2 n TYR 417 N -2.97 -1.21 -4.37 4.03 0.18 -1.15 -4.94 117.16 106.74 1wj2 n TYR 417 Ca 0.08 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.67 1wj2 n TYR 417 Cb 0.53 0.31 -0.10 0.00 -0.38 0.00 0.00 39.34 39.69 1wj2 n TYR 417 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1wj2 s GLY 418 N -2.16 1.67 -0.28 -7.48 0.00 -1.25 -5.08 107.32 92.75 1wj2 s GLY 418 Ca 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 44.72 42.78 1wj2 s GLY 418 CO 0.00 -1.74 0.63 -0.86 0.00 0.00 0.00 173.10 171.14 1wj2 s GLN 419 N -3.81 0.58 0.05 2.90 -2.07 -1.26 -2.43 119.66 113.62 1wj2 s GLN 419 Ca 0.29 1.36 0.00 0.00 -1.82 0.00 0.00 55.36 55.20 1wj2 s GLN 419 Cb 0.05 0.67 -0.04 0.00 -1.09 0.00 0.00 33.01 32.60 1wj2 s GLN 419 CO 0.10 -0.19 0.18 0.15 -1.32 0.00 0.00 175.29 174.21 1wj2 s LYS 420 N 2.60 3.34 0.15 9.60 -0.14 -0.94 -4.97 119.74 129.39 1wj2 s LYS 420 Ca -0.06 -0.47 0.08 0.00 -1.36 0.00 0.00 55.97 54.16 1wj2 s LYS 420 Cb -0.11 -2.99 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 1wj2 s LYS 420 CO -0.18 0.61 -0.08 0.54 -0.76 0.00 0.00 175.35 175.48 1wj2 s VAL 421 N -1.46 3.36 -0.06 3.17 0.11 -1.26 -1.12 120.40 123.13 1wj2 s VAL 421 Ca 0.33 -1.45 0.01 0.00 -2.93 0.00 0.00 61.98 57.94 1wj2 s VAL 421 Cb -0.13 -2.63 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 1wj2 s VAL 421 CO 0.26 -0.01 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.25 1wj2 s VAL 422 N -1.49 0.78 0.21 2.04 1.01 -1.26 -4.98 120.40 116.71 1wj2 s VAL 422 Ca 0.24 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1wj2 s VAL 422 Cb -0.10 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 1wj2 s VAL 422 CO 0.15 0.28 1.43 -0.75 0.00 0.00 0.00 175.10 176.22 1wj2 s LYS 423 N 0.91 4.28 0.00 2.72 2.20 -1.26 -3.27 119.74 125.33 1wj2 s LYS 423 Ca -0.11 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1wj2 s LYS 423 Cb -0.15 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1wj2 s LYS 423 CO 0.01 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1wj2 n GLY 424 N 2.60 2.30 3.66 5.54 0.00 -1.26 -4.98 105.19 113.04 1wj2 n GLY 424 Ca 0.08 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 6.57 0.00 1.61 -0.87 -1.20 -4.87 114.94 116.18 1wj2 s ASN 425 Ca 0.00 2.23 0.28 0.00 -1.57 0.00 0.00 52.86 53.79 1wj2 s ASN 425 Cb 0.00 -2.53 1.66 0.00 -0.02 0.00 0.00 41.25 40.35 1wj2 s ASN 425 CO 0.00 -1.01 2.01 -0.81 -2.57 0.00 0.00 177.10 174.72 1wj2 n PRO 426 N 7.29 0.86 -3.70 -0.60 -0.04 -1.26 -4.48 135.00 133.06 1wj2 n PRO 426 Ca 0.18 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.27 1wj2 n PRO 426 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 1wj2 n PRO 426 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wj2 s TYR 427 N -2.02 3.46 1.05 0.54 2.02 -1.26 -5.09 117.35 116.05 1wj2 s TYR 427 Ca 0.41 -2.58 -0.15 0.00 -0.37 0.00 0.00 57.07 54.39 1wj2 s TYR 427 Cb 0.19 -3.25 0.19 0.00 -0.40 0.00 0.00 41.96 38.69 1wj2 s TYR 427 CO 0.33 -0.88 0.38 -2.30 -1.57 0.00 0.00 175.55 171.51 1wj2 n PRO 428 N 3.80 -2.53 -4.92 -1.71 -0.02 -1.26 -4.67 135.00 123.69 1wj2 n PRO 428 Ca 0.05 -0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 60.46 1wj2 n PRO 428 Cb 0.39 -1.52 -0.15 0.00 -0.02 0.00 0.00 33.50 32.20 1wj2 n PRO 428 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1wj2 s ARG 429 N -3.63 3.21 0.12 -0.52 0.52 -0.28 -4.57 118.95 113.80 1wj2 s ARG 429 Ca 0.40 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 54.92 1wj2 s ARG 429 Cb -0.07 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 1wj2 s ARG 429 CO 0.36 0.24 -0.00 -1.12 0.02 0.00 0.00 175.30 174.80 1wj2 s SER 430 N 0.25 4.93 -0.07 0.23 0.01 -1.02 -2.20 113.70 115.83 1wj2 s SER 430 Ca -0.11 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 1wj2 s SER 430 Cb -0.16 -1.13 0.03 0.00 0.21 0.00 0.00 66.02 64.97 1wj2 s SER 430 CO 0.06 0.14 0.01 -0.31 0.41 0.00 0.00 173.24 173.55 1wj2 s TYR 431 N -1.44 0.59 0.45 2.43 2.02 -1.02 -1.47 117.35 118.91 1wj2 s TYR 431 Ca 0.26 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.90 1wj2 s TYR 431 Cb -0.11 -0.75 -0.05 0.00 -0.40 0.00 0.00 41.96 40.66 1wj2 s TYR 431 CO 0.18 -0.30 0.05 0.71 -1.57 0.00 0.00 175.55 174.62 1wj2 s TYR 432 N 1.92 2.25 -0.28 2.71 1.51 -1.01 -2.91 117.35 121.54 1wj2 s TYR 432 Ca 0.04 -0.77 -0.17 0.00 -1.01 0.00 0.00 57.07 55.15 1wj2 s TYR 432 Cb -0.12 -1.75 0.09 0.00 -0.11 0.00 0.00 41.96 40.07 1wj2 s TYR 432 CO -0.05 0.30 0.76 -1.59 -1.11 0.00 0.00 175.55 173.86 1wj2 s LYS 433 N -3.82 0.65 -0.51 -0.62 -2.85 -0.81 -0.66 119.74 111.13 1wj2 s LYS 433 Ca 0.25 1.07 -0.27 0.00 -1.00 0.00 0.00 55.97 56.02 1wj2 s LYS 433 Cb 0.06 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 1wj2 s LYS 433 CO 0.13 -0.13 2.13 0.00 0.10 0.00 0.00 175.35 177.58 1wj2 n THR 435 N 7.62 4.64 -3.93 0.00 5.66 -0.70 -2.56 114.28 125.01 1wj2 n THR 435 Ca 0.29 -5.30 -0.30 0.00 -3.05 0.00 0.00 64.05 55.68 1wj2 n THR 435 Cb 0.52 -2.46 -0.04 0.00 -1.55 0.00 0.00 70.33 66.80 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 -0.92 5.35 0.58 1.09 2.01 -0.84 -4.95 115.64 117.95 1wj2 s THR 436 Ca 0.34 -0.44 0.32 0.00 0.31 0.00 0.00 61.69 62.22 1wj2 s THR 436 Cb -0.05 -3.63 0.45 0.00 0.01 0.00 0.00 72.50 69.29 1wj2 s THR 436 CO -0.03 0.11 1.71 -0.65 -0.69 0.00 0.00 174.62 175.08 1wj2 h PRO 437 N 2.98 0.00 -0.70 4.92 0.11 -1.99 -1.18 132.00 136.14 1wj2 h PRO 437 Ca -0.45 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.31 1wj2 h PRO 437 Cb 1.16 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.87 1wj2 h PRO 437 CO 0.75 0.00 -1.06 0.41 -0.21 0.00 0.00 178.00 177.89 1wj2 n GLY 438 N -1.65 2.80 3.64 -0.55 0.00 -1.26 -5.06 105.19 103.10 1wj2 n GLY 438 Ca 0.18 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 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 2.48 3.65 3.83 0.00 0.00 -1.25 -1.99 105.19 111.90 1wj2 n GLY 440 Ca -0.13 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.19 4.83 -0.09 1.61 1.01 -1.06 -4.93 120.40 119.58 1wj2 s VAL 441 Ca 0.39 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.41 1wj2 s VAL 441 Cb 0.26 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1wj2 s VAL 441 CO -0.09 0.44 -0.20 -0.13 0.00 0.00 0.00 175.10 175.12 1wj2 s ARG 442 N -1.42 2.59 0.28 2.72 0.52 -0.94 0.13 118.95 122.83 1wj2 s ARG 442 Ca 0.31 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.89 1wj2 s ARG 442 Cb -0.17 -2.00 -0.06 0.00 0.52 0.00 0.00 34.95 33.24 1wj2 s ARG 442 CO 0.18 0.12 -0.11 -1.59 0.02 0.00 0.00 175.30 173.93 1wj2 s LYS 443 N 0.47 1.60 0.15 3.54 -2.85 0.17 -1.83 119.74 120.98 1wj2 s LYS 443 Ca -0.17 -1.79 0.09 0.00 -1.00 0.00 0.00 55.97 53.10 1wj2 s LYS 443 Cb -0.17 -1.38 -0.04 0.00 -2.06 0.00 0.00 37.83 34.17 1wj2 s LYS 443 CO 0.07 0.14 -0.20 -1.01 0.10 0.00 0.00 175.35 174.45 1wj2 s HIS 444 N -2.82 1.87 -0.18 1.78 3.76 -1.14 -2.40 115.29 116.15 1wj2 s HIS 444 Ca 0.29 -0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 54.74 1wj2 s HIS 444 Cb 0.01 -0.96 0.05 0.00 1.11 0.00 0.00 32.58 32.79 1wj2 s HIS 444 CO 0.13 0.30 0.02 0.08 -0.85 0.00 0.00 174.74 174.42 1wj2 s VAL 445 N -1.68 0.57 -0.07 -0.90 1.01 -0.54 -2.41 120.40 116.37 1wj2 s VAL 445 Ca 0.13 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1wj2 s VAL 445 Cb -0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 1wj2 s VAL 445 CO 0.06 -0.12 -0.21 -1.61 0.00 0.00 0.00 175.10 173.22 1wj2 s GLU 446 N 1.85 2.38 -0.47 2.72 8.01 -0.96 -2.43 118.70 129.79 1wj2 s GLU 446 Ca -0.00 -0.77 -0.12 0.00 0.01 0.00 0.00 54.97 54.09 1wj2 s GLU 446 Cb -0.16 -1.95 0.10 0.00 -4.31 0.00 0.00 34.13 27.81 1wj2 s GLU 446 CO -0.07 0.26 0.36 1.03 0.01 0.00 0.00 175.26 176.84 1wj2 s ARG 447 N 0.10 2.72 0.02 1.61 0.52 -1.26 -1.31 118.95 121.34 1wj2 s ARG 447 Ca -0.09 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 53.24 1wj2 s ARG 447 Cb -0.14 -4.00 -0.09 0.00 0.52 0.00 0.00 34.95 31.24 1wj2 s ARG 447 CO 0.05 -1.12 2.00 0.00 0.02 0.00 0.00 175.30 176.24 1wj2 n ALA 448 N 5.04 1.59 0.08 2.13 0.00 0.19 -4.86 120.51 124.68 1wj2 n ALA 448 Ca -0.11 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1wj2 n ALA 448 Cb 0.42 -2.70 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 1wj2 n ALA 448 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wj2 h ALA 449 N 10.93 0.63 -0.83 0.00 0.00 -1.96 -2.96 119.26 125.08 1wj2 h ALA 449 Ca -0.49 -0.48 0.18 0.00 0.00 0.00 0.00 54.91 54.12 1wj2 h ALA 449 Cb 1.24 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1wj2 h ALA 449 CO 0.94 0.55 0.56 1.79 0.00 0.00 0.00 179.25 183.08 1wj2 h THR 450 N 0.00 0.72 -2.14 0.00 1.35 -1.95 -3.42 112.91 107.47 1wj2 h THR 450 Ca -0.08 -0.13 -0.46 0.00 -0.55 0.00 0.00 66.41 65.20 1wj2 h THR 450 Cb 1.35 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1wj2 h THR 450 CO 0.03 0.07 -0.42 -0.62 -0.25 0.00 0.00 175.52 174.33 1wj2 s ASP 451 N -5.78 6.27 0.57 5.36 2.15 -1.26 -4.98 116.67 119.01 1wj2 s ASP 451 Ca -0.08 0.04 0.30 0.00 0.43 0.00 0.00 52.55 53.23 1wj2 s ASP 451 Cb 0.22 -1.78 1.46 0.00 -0.30 0.00 0.00 42.92 42.52 1wj2 s ASP 451 CO 0.77 -0.12 1.88 -0.65 -0.17 0.00 0.00 175.17 176.88 1wj2 h PRO 452 N 1.13 0.00 -0.13 4.34 0.11 -1.88 -3.36 132.00 132.22 1wj2 h PRO 452 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1wj2 h PRO 452 Cb 1.23 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 1wj2 h PRO 452 CO 0.60 0.00 -0.10 1.17 -0.21 0.00 0.00 178.00 179.46 1wj2 n LYS 453 N -3.91 0.10 -4.36 1.05 4.81 -1.26 -5.10 118.16 109.49 1wj2 n LYS 453 Ca 0.12 -0.75 -0.35 0.00 -0.87 0.00 0.00 58.31 56.47 1wj2 n LYS 453 Cb 0.80 0.06 -0.10 0.00 0.02 0.00 0.00 35.03 35.81 1wj2 n LYS 453 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wj2 s ALA 454 N 0.76 3.24 -0.24 3.14 0.00 -1.12 -5.02 121.76 122.53 1wj2 s ALA 454 Ca 0.24 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 1wj2 s ALA 454 Cb 0.15 -1.52 0.09 0.00 0.00 0.00 0.00 23.12 21.84 1wj2 s ALA 454 CO -0.10 0.50 0.13 0.08 0.00 0.00 0.00 175.76 176.36 1wj2 s VAL 455 N -0.58 -0.11 -0.05 0.00 1.01 -1.26 0.57 120.40 119.97 1wj2 s VAL 455 Ca 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1wj2 s VAL 455 Cb -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1wj2 s VAL 455 CO 0.02 -0.50 0.17 0.54 0.00 0.00 0.00 175.10 175.33 1wj2 s VAL 456 N 2.15 5.45 0.17 2.92 0.11 -0.43 -4.97 120.40 125.80 1wj2 s VAL 456 Ca 0.06 -0.04 0.09 0.00 -2.93 0.00 0.00 61.98 59.16 1wj2 s VAL 456 Cb -0.16 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1wj2 s VAL 456 CO -0.24 0.43 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.89 1wj2 s THR 457 N -1.22 1.83 0.09 5.04 2.01 -1.26 -2.27 115.64 119.86 1wj2 s THR 457 Ca 0.23 -1.97 0.04 0.00 0.31 0.00 0.00 61.69 60.30 1wj2 s THR 457 Cb -0.12 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1wj2 s THR 457 CO 0.14 -0.35 -0.10 0.42 -0.69 0.00 0.00 174.62 174.03 1wj2 s THR 458 N -2.17 0.90 -0.12 -0.82 -4.23 -1.01 -5.01 115.64 103.18 1wj2 s THR 458 Ca 0.17 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1wj2 s THR 458 Cb -0.05 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.56 1wj2 s THR 458 CO 0.07 -0.52 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.31 1wj2 s TYR 459 N -2.26 1.00 -0.23 3.99 1.51 -1.26 -2.91 117.35 117.20 1wj2 s TYR 459 Ca 0.03 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1wj2 s TYR 459 Cb -0.04 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1wj2 s TYR 459 CO 0.00 -0.46 -0.12 -1.21 -1.11 0.00 0.00 175.55 172.65 1wj2 s GLU 460 N 1.86 2.77 0.00 -0.62 2.02 -0.76 -5.03 118.70 118.94 1wj2 s GLU 460 Ca 0.03 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1wj2 s GLU 460 Cb -0.14 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1wj2 s GLU 460 CO -0.07 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.26 1wj2 n GLY 461 N 4.60 2.38 3.92 -1.39 0.00 -1.26 -2.21 105.19 111.24 1wj2 n GLY 461 Ca -0.18 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.97 3.40 0.18 1.61 1.02 -1.26 -4.87 119.74 115.84 1wj2 s LYS 462 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1wj2 s LYS 462 Cb 0.00 -2.97 -0.07 0.00 -0.52 0.00 0.00 37.83 34.27 1wj2 s LYS 462 CO 0.00 0.55 1.00 -1.01 -0.92 0.00 0.00 175.35 174.97 1wj2 s HIS 463 N -1.66 3.79 -0.41 3.18 3.76 -1.26 -4.75 115.29 117.95 1wj2 s HIS 463 Ca 0.34 1.77 0.05 0.00 -0.15 0.00 0.00 55.06 57.08 1wj2 s HIS 463 Cb -0.12 -3.11 0.61 0.00 1.11 0.00 0.00 32.58 31.07 1wj2 s HIS 463 CO 0.28 0.01 1.77 0.09 -0.85 0.00 0.00 174.74 176.04 1wj2 n ASN 464 N 2.19 3.48 -3.80 1.40 3.02 -1.26 -4.96 115.26 115.33 1wj2 n ASN 464 Ca 0.01 -3.68 -0.10 0.00 -0.03 0.00 0.00 54.58 50.78 1wj2 n ASN 464 Cb 0.47 -0.77 -0.05 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 -3.31 0.04 0.43 3.10 -3.43 -1.26 -4.78 115.29 106.07 1wj2 s HIS 465 Ca 0.53 -0.39 -0.07 0.00 -0.80 0.00 0.00 55.06 54.33 1wj2 s HIS 465 Cb 0.46 0.25 0.10 0.00 -1.43 0.00 0.00 32.58 31.97 1wj2 s HIS 465 CO 0.07 -0.85 0.43 -0.25 -2.00 0.00 0.00 174.74 172.14 1wj2 n ASP 466 N -0.30 -0.94 -4.50 7.38 8.00 -1.26 -4.99 116.55 119.94 1wj2 n ASP 466 Ca -0.09 -0.89 -0.43 0.00 0.71 0.00 0.00 54.79 54.09 1wj2 n ASP 466 Cb 0.63 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.27 1wj2 n ASP 466 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wj2 s LEU 467 N 0.00 4.72 0.00 0.64 1.02 -1.26 -5.04 118.68 118.76 1wj2 s LEU 467 Ca 0.27 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.88 1wj2 s LEU 467 Cb -0.02 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.68 1wj2 s LEU 467 CO 0.20 -0.65 0.00 -2.65 0.02 0.00 0.00 176.35 173.27 1wj2 n PRO 468 N 5.84 -0.67 0.00 1.29 -0.02 -1.26 -5.13 135.00 135.06 1wj2 n PRO 468 Ca -0.05 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1wj2 n PRO 468 Cb 0.48 0.00 0.56 0.00 -0.02 0.00 0.00 33.50 34.52 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48