#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 1.07 -0.33 7.34 1.11 -1.26 -4.95 119.66 122.64 1wj2 s GLN 400 Ca 0.00 -2.05 0.07 0.00 0.01 0.00 0.00 55.36 53.39 1wj2 s GLN 400 Cb 0.00 -1.79 0.54 0.00 -1.01 0.00 0.00 33.01 30.75 1wj2 s GLN 400 CO 0.00 -1.29 1.56 0.25 0.01 0.00 0.00 175.29 175.82 1wj2 n THR 401 N 3.15 2.71 0.08 -0.19 -2.24 -1.26 -4.78 114.28 111.75 1wj2 n THR 401 Ca 0.21 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.32 1wj2 n THR 401 Cb 0.41 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.12 0.00 -4.46 4.28 -2.24 -1.26 -5.14 114.28 104.34 1wj2 n THR 402 Ca 0.40 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.87 1wj2 n THR 402 Cb 1.15 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.26 1wj2 n THR 402 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wj2 s SER 403 N -1.52 3.97 -0.63 3.42 1.04 -1.26 -5.09 113.70 113.62 1wj2 s SER 403 Ca 0.00 -0.45 -0.17 0.00 0.48 0.00 0.00 55.95 55.81 1wj2 s SER 403 Cb 0.00 -0.65 0.13 0.00 0.10 0.00 0.00 66.02 65.61 1wj2 s SER 403 CO 0.00 0.22 0.67 -0.70 0.98 0.00 0.00 173.24 174.41 1wj2 s GLU 404 N -1.80 3.15 -0.21 4.02 2.12 -1.26 -4.74 118.70 119.99 1wj2 s GLU 404 Ca 0.17 -1.68 -0.27 0.00 0.36 0.00 0.00 54.97 53.55 1wj2 s GLU 404 Cb -0.11 -4.35 -0.00 0.00 0.26 0.00 0.00 34.13 29.94 1wj2 s GLU 404 CO 0.08 -1.44 0.95 0.54 -0.54 0.00 0.00 175.26 174.86 1wj2 s VAL 405 N 1.88 4.76 -0.19 3.70 0.11 -1.26 -4.91 120.40 124.50 1wj2 s VAL 405 Ca 0.11 1.86 0.14 0.00 -2.93 0.00 0.00 61.98 61.16 1wj2 s VAL 405 Cb -0.23 -4.24 -0.22 0.00 -1.53 0.00 0.00 36.38 30.17 1wj2 s VAL 405 CO 0.02 -0.10 0.02 0.47 -3.33 0.00 0.00 175.10 172.18 1wj2 n ASP 406 N 5.89 0.67 -4.56 3.54 8.00 -1.26 -4.86 116.55 123.98 1wj2 n ASP 406 Ca 0.09 -0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 1wj2 n ASP 406 Cb 0.47 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 42.29 1wj2 n ASP 406 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wj2 s LEU 407 N -5.54 3.53 -0.38 0.64 1.98 -1.26 -4.99 118.68 112.65 1wj2 s LEU 407 Ca -0.13 -0.14 -0.14 0.00 -2.89 0.00 0.00 54.13 50.83 1wj2 s LEU 407 Cb 0.06 -2.94 0.00 0.00 0.66 0.00 0.00 46.19 43.97 1wj2 s LEU 407 CO 0.73 -1.52 0.28 -1.48 -1.89 0.00 0.00 176.35 172.46 1wj2 s LEU 408 N 4.94 4.86 -0.38 -0.68 2.34 -1.26 -5.04 118.68 123.46 1wj2 s LEU 408 Ca 0.38 -0.70 -0.29 0.00 0.06 0.00 0.00 54.13 53.58 1wj2 s LEU 408 Cb -0.09 -2.15 0.01 0.00 -0.56 0.00 0.00 46.19 43.40 1wj2 s LEU 408 CO 0.21 -0.36 1.31 -0.62 -1.06 0.00 0.00 176.35 175.83 1wj2 s ASP 409 N 1.70 6.54 -0.11 1.48 -1.08 -1.26 -4.83 116.67 119.11 1wj2 s ASP 409 Ca 0.05 0.90 0.01 0.00 -0.52 0.00 0.00 52.55 52.99 1wj2 s ASP 409 Cb -0.18 -2.54 -0.07 0.00 -1.46 0.00 0.00 42.92 38.66 1wj2 s ASP 409 CO 0.10 -1.25 -0.10 -0.67 0.52 0.00 0.00 175.17 173.77 1wj2 n ASP 410 N 8.13 3.05 0.09 -0.34 2.03 -1.26 -5.03 116.55 123.22 1wj2 n ASP 410 Ca 0.15 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1wj2 n ASP 410 Cb 0.48 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1wj2 n ASP 410 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wj2 n GLY 411 N 2.94 -1.12 3.89 0.27 0.00 -1.26 -5.06 105.19 104.86 1wj2 n GLY 411 Ca -0.20 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.58 -0.38 1.61 2.02 -1.26 -4.71 117.35 116.20 1wj2 s TYR 412 Ca 0.00 1.00 -0.08 0.00 -0.37 0.00 0.00 57.07 57.62 1wj2 s TYR 412 Cb 0.00 -2.46 0.06 0.00 -0.40 0.00 0.00 41.96 39.16 1wj2 s TYR 412 CO 0.00 -0.40 0.20 1.03 -1.57 0.00 0.00 175.55 174.81 1wj2 s ARG 413 N -4.80 2.62 0.46 -0.62 0.52 -1.26 -4.91 118.95 110.96 1wj2 s ARG 413 Ca 0.50 -1.32 0.08 0.00 -0.52 0.00 0.00 55.73 54.47 1wj2 s ARG 413 Cb -0.10 -3.66 0.01 0.00 0.52 0.00 0.00 34.95 31.72 1wj2 s ARG 413 CO 0.46 -0.82 0.50 -1.58 0.02 0.00 0.00 175.30 173.88 1wj2 s TRP 414 N 1.43 2.35 0.01 -0.53 0.52 -1.26 -1.43 118.94 120.03 1wj2 s TRP 414 Ca 0.01 -0.56 -0.28 0.00 0.02 0.00 0.00 56.10 55.29 1wj2 s TRP 414 Cb -0.21 -2.19 0.07 0.00 -1.15 0.00 0.00 33.47 29.99 1wj2 s TRP 414 CO 0.03 -0.42 0.67 0.50 0.02 0.00 0.00 176.95 177.74 1wj2 s ARG 415 N -4.30 1.11 0.14 4.98 6.06 -0.83 -4.79 118.95 121.33 1wj2 s ARG 415 Ca 0.50 0.01 -0.17 0.00 -2.50 0.00 0.00 55.73 53.58 1wj2 s ARG 415 Cb -0.05 0.52 -0.07 0.00 0.06 0.00 0.00 34.95 35.41 1wj2 s ARG 415 CO 0.30 -0.40 0.59 0.21 -2.50 0.00 0.00 175.30 173.50 1wj2 s LYS 416 N -2.04 4.10 0.00 5.12 2.20 -1.26 -1.33 119.74 126.54 1wj2 s LYS 416 Ca -0.07 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1wj2 s LYS 416 Cb -0.00 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1wj2 s LYS 416 CO 0.02 0.51 0.00 2.48 -0.36 0.00 0.00 175.35 178.00 1wj2 n TYR 417 N 1.07 0.00 -4.12 4.03 4.11 -1.19 -5.00 117.16 116.06 1wj2 n TYR 417 Ca -0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.74 1wj2 n TYR 417 Cb 0.51 0.28 -0.10 0.00 -0.00 0.00 0.00 39.34 40.03 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 -4.31 0.61 -0.03 -7.48 0.00 -1.25 -5.09 107.32 89.77 1wj2 s GLY 418 Ca 0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 1wj2 s GLY 418 CO 0.00 -1.33 0.34 -0.86 0.00 0.00 0.00 173.10 171.25 1wj2 s GLN 419 N -3.64 0.68 0.35 2.90 1.03 -1.26 -2.06 119.66 117.67 1wj2 s GLN 419 Ca 0.08 -0.10 0.01 0.00 0.04 0.00 0.00 55.36 55.39 1wj2 s GLN 419 Cb 0.05 0.30 -0.00 0.00 0.03 0.00 0.00 33.01 33.39 1wj2 s GLN 419 CO -0.06 -0.18 0.04 1.63 -2.54 0.00 0.00 175.29 174.17 1wj2 n LYS 420 N 1.39 0.94 -4.19 9.60 5.02 0.20 -5.01 118.16 126.10 1wj2 n LYS 420 Ca -0.21 -2.70 -0.15 0.00 -2.02 0.00 0.00 58.31 53.23 1wj2 n LYS 420 Cb 0.56 0.97 -0.11 0.00 -0.02 0.00 0.00 35.03 36.43 1wj2 n LYS 420 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wj2 s VAL 421 N -2.48 1.01 0.04 -0.18 0.11 -1.26 -2.02 120.40 115.62 1wj2 s VAL 421 Ca 0.05 -1.69 0.07 0.00 -2.93 0.00 0.00 61.98 57.48 1wj2 s VAL 421 Cb 0.00 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 1wj2 s VAL 421 CO 0.04 -0.56 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.35 1wj2 s VAL 422 N -2.50 1.64 -0.48 2.04 1.01 -1.26 -4.87 120.40 115.98 1wj2 s VAL 422 Ca 0.07 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 1wj2 s VAL 422 Cb -0.03 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1wj2 s VAL 422 CO 0.00 0.19 0.71 -1.59 0.00 0.00 0.00 175.10 174.42 1wj2 s LYS 423 N -1.18 3.27 0.00 2.72 -2.85 -1.26 -4.12 119.74 116.32 1wj2 s LYS 423 Ca 0.07 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1wj2 s LYS 423 Cb -0.09 -4.00 0.00 0.00 -2.06 0.00 0.00 37.83 31.68 1wj2 s LYS 423 CO 0.02 -1.16 0.00 0.41 0.10 0.00 0.00 175.35 174.71 1wj2 n GLY 424 N 5.08 3.13 3.76 0.59 0.00 -1.26 -5.07 105.19 111.42 1wj2 n GLY 424 Ca -0.02 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 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 7.27 0.04 1.61 -0.87 -1.26 -4.97 114.94 116.76 1wj2 s ASN 425 Ca 0.00 2.24 -0.16 0.00 -1.57 0.00 0.00 52.86 53.37 1wj2 s ASN 425 Cb 0.00 -2.62 -0.26 0.00 -0.02 0.00 0.00 41.25 38.35 1wj2 s ASN 425 CO 0.00 -0.14 1.12 1.55 -2.57 0.00 0.00 177.10 177.07 1wj2 h PRO 426 N 3.78 0.59 -6.08 -0.60 0.13 -1.93 -3.43 132.00 124.46 1wj2 h PRO 426 Ca -0.47 -0.70 -0.60 0.00 -0.87 0.00 0.00 66.00 63.37 1wj2 h PRO 426 Cb 1.21 0.21 -0.10 0.00 0.13 0.00 0.00 31.00 32.46 1wj2 h PRO 426 CO 0.67 1.29 0.58 0.71 -0.23 0.00 0.00 178.00 181.01 1wj2 s TYR 427 N -3.14 3.03 0.00 1.56 2.02 -1.26 -5.04 117.35 114.52 1wj2 s TYR 427 Ca -0.11 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 1wj2 s TYR 427 Cb 0.05 -3.73 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 1wj2 s TYR 427 CO 0.90 -0.90 0.00 -2.30 -1.57 0.00 0.00 175.55 171.67 1wj2 n PRO 428 N 6.87 -0.91 -4.04 -1.71 -0.02 -1.26 -4.72 135.00 129.20 1wj2 n PRO 428 Ca 0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 1wj2 n PRO 428 Cb 0.48 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.81 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 -2.17 2.29 0.24 -0.52 0.52 -0.86 -4.63 118.95 113.83 1wj2 s ARG 429 Ca 0.00 -1.32 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 1wj2 s ARG 429 Cb 0.00 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 1wj2 s ARG 429 CO 0.00 -0.57 0.37 -1.12 0.02 0.00 0.00 175.30 174.00 1wj2 s SER 430 N 1.13 6.32 -0.07 0.23 0.01 -1.23 0.58 113.70 120.68 1wj2 s SER 430 Ca -0.08 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.27 1wj2 s SER 430 Cb -0.20 -1.88 0.04 0.00 0.21 0.00 0.00 66.02 64.19 1wj2 s SER 430 CO -0.05 -0.08 0.07 -0.31 0.41 0.00 0.00 173.24 173.29 1wj2 s TYR 431 N -1.99 0.06 0.53 2.43 2.02 -0.87 -2.80 117.35 116.72 1wj2 s TYR 431 Ca 0.35 0.19 0.05 0.00 -0.37 0.00 0.00 57.07 57.29 1wj2 s TYR 431 Cb -0.09 -0.50 0.03 0.00 -0.40 0.00 0.00 41.96 41.00 1wj2 s TYR 431 CO 0.30 -0.25 0.36 0.71 -1.57 0.00 0.00 175.55 175.09 1wj2 s TYR 432 N 2.18 1.77 -0.29 2.71 1.51 -0.98 -3.19 117.35 121.06 1wj2 s TYR 432 Ca 0.04 -0.81 -0.15 0.00 -1.01 0.00 0.00 57.07 55.14 1wj2 s TYR 432 Cb -0.13 -1.91 0.11 0.00 -0.11 0.00 0.00 41.96 39.92 1wj2 s TYR 432 CO -0.04 -0.36 0.76 -1.59 -1.11 0.00 0.00 175.55 173.21 1wj2 s LYS 433 N -4.22 0.59 -0.72 -0.62 -2.85 -0.44 -1.54 119.74 109.94 1wj2 s LYS 433 Ca 0.33 1.12 -0.26 0.00 -1.00 0.00 0.00 55.97 56.16 1wj2 s LYS 433 Cb -0.02 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 1wj2 s LYS 433 CO 0.20 -0.14 2.05 0.00 0.10 0.00 0.00 175.35 177.56 1wj2 n THR 435 N 7.79 4.74 -3.83 0.00 5.66 -0.51 -2.76 114.28 125.37 1wj2 n THR 435 Ca 0.34 -5.00 -0.20 0.00 -3.05 0.00 0.00 64.05 56.14 1wj2 n THR 435 Cb 0.49 -2.25 -0.02 0.00 -1.55 0.00 0.00 70.33 67.01 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 -0.86 4.95 -0.87 1.09 2.01 -0.94 -4.94 115.64 116.09 1wj2 s THR 436 Ca 0.36 -0.98 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 1wj2 s THR 436 Cb 0.08 -3.74 -0.22 0.00 0.01 0.00 0.00 72.50 68.63 1wj2 s THR 436 CO 0.04 -0.29 2.32 -2.65 -0.69 0.00 0.00 174.62 173.36 1wj2 n PRO 437 N -1.47 0.34 0.00 4.92 -0.02 -1.26 -0.21 135.00 137.30 1wj2 n PRO 437 Ca -0.07 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1wj2 n PRO 437 Cb 0.57 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 6.24 3.07 3.73 -1.23 0.00 -1.26 -4.97 105.19 110.77 1wj2 n GLY 438 Ca 0.56 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 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 2.75 3.72 3.85 0.00 0.00 -1.24 -2.23 105.19 112.05 1wj2 n GLY 440 Ca -0.02 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.29 5.07 -0.16 1.61 1.01 -1.11 -4.93 120.40 119.60 1wj2 s VAL 441 Ca 0.40 0.69 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1wj2 s VAL 441 Cb 0.27 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1wj2 s VAL 441 CO -0.09 0.49 -0.19 -0.13 0.00 0.00 0.00 175.10 175.17 1wj2 s ARG 442 N -1.34 2.85 0.32 2.72 1.81 -1.01 0.12 118.95 124.42 1wj2 s ARG 442 Ca 0.26 -0.78 0.10 0.00 -1.72 0.00 0.00 55.73 53.59 1wj2 s ARG 442 Cb -0.16 -2.42 -0.05 0.00 -0.45 0.00 0.00 34.95 31.87 1wj2 s ARG 442 CO 0.14 -0.15 -0.05 -1.59 -0.68 0.00 0.00 175.30 172.98 1wj2 s LYS 443 N 1.16 1.99 -0.08 3.54 -2.85 -0.59 -2.06 119.74 120.85 1wj2 s LYS 443 Ca 0.01 -1.74 0.01 0.00 -1.00 0.00 0.00 55.97 53.24 1wj2 s LYS 443 Cb -0.14 -1.89 0.02 0.00 -2.06 0.00 0.00 37.83 33.76 1wj2 s LYS 443 CO -0.09 0.20 -0.08 -1.01 0.10 0.00 0.00 175.35 174.48 1wj2 s HIS 444 N -2.51 1.28 -0.29 1.78 3.76 0.13 -2.33 115.29 117.12 1wj2 s HIS 444 Ca 0.33 -0.53 -0.10 0.00 -0.15 0.00 0.00 55.06 54.61 1wj2 s HIS 444 Cb -0.01 -1.04 -0.03 0.00 1.11 0.00 0.00 32.58 32.60 1wj2 s HIS 444 CO 0.18 -0.36 0.16 0.08 -0.85 0.00 0.00 174.74 173.96 1wj2 s VAL 445 N 1.22 4.97 -0.05 -0.90 1.01 -1.12 -0.77 120.40 124.75 1wj2 s VAL 445 Ca -0.05 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1wj2 s VAL 445 Cb -0.14 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1wj2 s VAL 445 CO -0.02 0.21 -0.16 -1.61 0.00 0.00 0.00 175.10 173.51 1wj2 s GLU 446 N 1.70 1.88 -0.27 2.72 2.02 -0.50 -3.48 118.70 122.77 1wj2 s GLU 446 Ca 0.06 -0.58 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 1wj2 s GLU 446 Cb -0.16 -1.58 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 1wj2 s GLU 446 CO 0.09 0.18 0.06 1.03 0.02 0.00 0.00 175.26 176.64 1wj2 s ARG 447 N 0.22 3.40 -0.18 1.61 0.52 -1.26 -0.36 118.95 122.91 1wj2 s ARG 447 Ca -0.08 -0.64 -0.25 0.00 -0.52 0.00 0.00 55.73 54.23 1wj2 s ARG 447 Cb -0.13 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 1wj2 s ARG 447 CO 0.03 -0.29 0.84 0.00 0.02 0.00 0.00 175.30 175.90 1wj2 s ALA 448 N 1.56 3.53 -0.19 2.13 0.00 0.23 -4.84 121.76 124.18 1wj2 s ALA 448 Ca 0.05 0.03 0.17 0.00 0.00 0.00 0.00 51.96 52.21 1wj2 s ALA 448 Cb -0.16 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1wj2 s ALA 448 CO 0.02 -0.69 1.27 0.00 0.00 0.00 0.00 175.76 176.37 1wj2 h ALA 449 N 7.36 0.69 -0.91 0.00 0.00 -1.98 -3.01 119.26 121.41 1wj2 h ALA 449 Ca -0.28 -0.45 0.18 0.00 0.00 0.00 0.00 54.91 54.35 1wj2 h ALA 449 Cb 1.13 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1wj2 h ALA 449 CO 0.84 0.56 0.59 1.79 0.00 0.00 0.00 179.25 183.03 1wj2 h THR 450 N 0.00 0.74 -2.01 0.00 1.35 -1.97 -3.42 112.91 107.61 1wj2 h THR 450 Ca -0.04 -0.20 -0.45 0.00 -0.55 0.00 0.00 66.41 65.17 1wj2 h THR 450 Cb 1.35 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1wj2 h THR 450 CO 0.05 0.10 -0.39 -0.62 -0.25 0.00 0.00 175.52 174.41 1wj2 s ASP 451 N -5.66 6.16 0.55 5.36 2.15 -1.25 -4.99 116.67 118.99 1wj2 s ASP 451 Ca -0.09 -0.05 0.31 0.00 0.43 0.00 0.00 52.55 53.15 1wj2 s ASP 451 Cb 0.23 -1.57 1.47 0.00 -0.30 0.00 0.00 42.92 42.74 1wj2 s ASP 451 CO 0.79 -0.23 1.90 -0.65 -0.17 0.00 0.00 175.17 176.80 1wj2 h PRO 452 N 1.04 0.00 -0.10 4.34 0.11 -1.87 -3.36 132.00 132.16 1wj2 h PRO 452 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1wj2 h PRO 452 Cb 1.24 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.21 1wj2 h PRO 452 CO 0.57 0.00 -0.09 1.63 -0.21 0.00 0.00 178.00 179.91 1wj2 n LYS 453 N -4.19 0.09 -3.71 1.05 5.02 -1.26 -5.08 118.16 110.07 1wj2 n LYS 453 Ca 0.16 -0.71 -0.36 0.00 -2.02 0.00 0.00 58.31 55.38 1wj2 n LYS 453 Cb 0.89 0.08 -0.07 0.00 -0.02 0.00 0.00 35.03 35.90 1wj2 n LYS 453 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wj2 s ALA 454 N 0.71 3.72 -0.52 7.82 0.00 -1.14 -4.99 121.76 127.36 1wj2 s ALA 454 Ca 0.24 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1wj2 s ALA 454 Cb 0.16 -2.18 0.16 0.00 0.00 0.00 0.00 23.12 21.26 1wj2 s ALA 454 CO -0.10 0.28 0.37 0.08 0.00 0.00 0.00 175.76 176.39 1wj2 s VAL 455 N -0.05 1.50 -0.25 0.00 1.01 -1.26 0.78 120.40 122.13 1wj2 s VAL 455 Ca 0.13 -3.22 -0.28 0.00 0.00 0.00 0.00 61.98 58.61 1wj2 s VAL 455 Cb -0.12 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1wj2 s VAL 455 CO 0.02 -1.08 0.99 0.54 0.00 0.00 0.00 175.10 175.57 1wj2 s VAL 456 N -0.43 4.69 0.00 2.92 0.11 0.51 -4.87 120.40 123.33 1wj2 s VAL 456 Ca 0.27 1.85 0.04 0.00 -2.93 0.00 0.00 61.98 61.21 1wj2 s VAL 456 Cb -0.05 -4.28 -0.03 0.00 -1.53 0.00 0.00 36.38 30.48 1wj2 s VAL 456 CO -0.14 -0.21 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.42 1wj2 s THR 457 N 3.20 3.35 -0.19 5.04 2.01 -1.26 -1.41 115.64 126.38 1wj2 s THR 457 Ca 0.42 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1wj2 s THR 457 Cb -0.15 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1wj2 s THR 457 CO 0.08 0.41 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.39 1wj2 s THR 458 N -0.94 2.51 -0.21 -0.82 2.01 0.05 -4.96 115.64 113.29 1wj2 s THR 458 Ca 0.16 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 1wj2 s THR 458 Cb -0.11 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 1wj2 s THR 458 CO 0.06 0.50 0.12 -0.31 -0.69 0.00 0.00 174.62 174.30 1wj2 s TYR 459 N 1.31 3.32 -0.28 4.92 1.51 -1.26 -0.69 117.35 126.18 1wj2 s TYR 459 Ca 0.04 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1wj2 s TYR 459 Cb -0.14 -2.17 0.08 0.00 -0.11 0.00 0.00 41.96 39.62 1wj2 s TYR 459 CO -0.09 0.16 0.01 -1.21 -1.11 0.00 0.00 175.55 173.31 1wj2 s GLU 460 N 0.62 1.33 0.00 -0.62 0.41 -0.87 -5.02 118.70 114.54 1wj2 s GLU 460 Ca 0.06 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 1wj2 s GLU 460 Cb -0.12 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 1wj2 s GLU 460 CO 0.01 -0.77 0.00 0.41 -0.49 0.00 0.00 175.26 174.41 1wj2 n GLY 461 N 4.63 2.99 3.88 -1.39 0.00 -1.26 -2.40 105.19 111.64 1wj2 n GLY 461 Ca -0.06 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.46 3.21 -0.38 1.61 1.02 -1.26 -4.92 119.74 115.55 1wj2 s LYS 462 Ca 0.00 -0.73 -0.22 0.00 0.02 0.00 0.00 55.97 55.04 1wj2 s LYS 462 Cb 0.00 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1wj2 s LYS 462 CO 0.00 0.50 0.71 -1.01 -0.92 0.00 0.00 175.35 174.63 1wj2 s HIS 463 N -1.77 3.11 0.23 3.18 3.76 -1.26 -4.78 115.29 117.75 1wj2 s HIS 463 Ca 0.33 0.35 0.22 0.00 -0.15 0.00 0.00 55.06 55.81 1wj2 s HIS 463 Cb -0.10 -3.32 0.93 0.00 1.11 0.00 0.00 32.58 31.19 1wj2 s HIS 463 CO 0.26 -0.74 1.84 -0.91 -0.85 0.00 0.00 174.74 174.35 1wj2 h ASN 464 N 8.58 0.00 -3.32 1.40 2.35 -1.98 -3.42 115.58 119.20 1wj2 h ASN 464 Ca -0.25 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.91 1wj2 h ASN 464 Cb 1.10 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.38 1wj2 h ASN 464 CO 0.88 0.27 -0.23 -1.38 -1.65 0.00 0.00 177.43 175.32 1wj2 s HIS 465 N -3.79 3.48 1.17 1.19 -3.43 -1.26 -5.07 115.29 107.58 1wj2 s HIS 465 Ca -0.01 0.73 -0.14 0.00 -0.80 0.00 0.00 55.06 54.85 1wj2 s HIS 465 Cb 0.11 -2.45 0.26 0.00 -1.43 0.00 0.00 32.58 29.07 1wj2 s HIS 465 CO 0.65 0.20 0.82 -0.25 -2.00 0.00 0.00 174.74 174.16 1wj2 n ASP 466 N 3.65 -1.88 -4.61 7.38 9.92 -1.26 -4.84 116.55 124.91 1wj2 n ASP 466 Ca -0.09 -0.16 -0.43 0.00 -0.53 0.00 0.00 54.79 53.58 1wj2 n ASP 466 Cb 0.52 -1.20 -0.03 0.00 -0.64 0.00 0.00 41.12 39.77 1wj2 n ASP 466 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wj2 s LEU 467 N -6.10 3.63 1.21 0.64 2.01 -1.26 -4.97 118.68 113.84 1wj2 s LEU 467 Ca 0.66 1.72 -0.18 0.00 0.01 0.00 0.00 54.13 56.34 1wj2 s LEU 467 Cb -0.23 -3.52 0.25 0.00 0.01 0.00 0.00 46.19 42.70 1wj2 s LEU 467 CO 0.65 -1.67 0.54 -2.65 1.01 0.00 0.00 176.35 174.24 1wj2 n PRO 468 N 8.34 -3.11 0.00 1.29 -0.02 -1.26 -5.17 135.00 135.07 1wj2 n PRO 468 Ca 0.25 -0.91 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 1wj2 n PRO 468 Cb 0.45 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48