#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 2.98 -0.12 5.55 0.74 -1.26 -4.78 119.66 122.76 1wj2 s GLN 400 Ca 0.00 -2.72 0.10 0.00 0.05 0.00 0.00 55.36 52.80 1wj2 s GLN 400 Cb 0.00 -3.94 -0.24 0.00 1.10 0.00 0.00 33.01 29.94 1wj2 s GLN 400 CO 0.00 -1.22 0.35 0.25 -0.55 0.00 0.00 175.29 174.13 1wj2 n THR 401 N 3.28 1.56 0.00 -0.34 -2.24 -1.26 -4.98 114.28 110.30 1wj2 n THR 401 Ca 0.13 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1wj2 n THR 401 Cb 0.39 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 -3.04 0.00 -3.60 4.28 -2.24 -1.26 -5.10 114.28 103.32 1wj2 n THR 402 Ca -0.27 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 1wj2 n THR 402 Cb 1.08 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.15 1wj2 n THR 402 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wj2 s SER 403 N -0.51 3.30 -0.57 3.42 0.01 -1.26 -5.01 113.70 113.08 1wj2 s SER 403 Ca 0.00 -1.16 -0.02 0.00 1.31 0.00 0.00 55.95 56.09 1wj2 s SER 403 Cb 0.00 -0.42 0.39 0.00 0.21 0.00 0.00 66.02 66.19 1wj2 s SER 403 CO 0.00 -0.41 2.03 1.21 0.41 0.00 0.00 173.24 176.49 1wj2 n GLU 404 N 5.18 2.44 -3.03 12.44 4.07 -1.26 -4.84 120.64 135.64 1wj2 n GLU 404 Ca -0.06 -2.81 -0.44 0.00 -0.06 0.00 0.00 57.16 53.78 1wj2 n GLU 404 Cb 0.44 -2.10 -0.01 0.00 -0.06 0.00 0.00 31.44 29.71 1wj2 n GLU 404 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1wj2 s VAL 405 N -4.13 5.19 -0.18 6.31 1.01 -1.26 -5.00 120.40 122.35 1wj2 s VAL 405 Ca 0.56 -2.60 -0.07 0.00 0.00 0.00 0.00 61.98 59.86 1wj2 s VAL 405 Cb 0.44 -4.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1wj2 s VAL 405 CO -0.01 -1.50 0.07 -1.81 0.00 0.00 0.00 175.10 171.86 1wj2 s ASP 406 N 2.66 5.71 -0.12 3.32 1.01 -1.26 -5.06 116.67 122.91 1wj2 s ASP 406 Ca 0.38 0.12 -0.29 0.00 0.71 0.00 0.00 52.55 53.46 1wj2 s ASP 406 Cb -0.05 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 1wj2 s ASP 406 CO -0.03 0.20 1.35 -0.22 0.21 0.00 0.00 175.17 176.67 1wj2 s LEU 407 N 0.24 4.23 -1.31 1.23 0.20 -1.26 -4.93 118.68 117.07 1wj2 s LEU 407 Ca 0.04 1.84 -0.17 0.00 0.69 0.00 0.00 54.13 56.53 1wj2 s LEU 407 Cb -0.12 -3.54 0.08 0.00 -0.43 0.00 0.00 46.19 42.17 1wj2 s LEU 407 CO 0.00 -0.78 1.78 0.18 -0.29 0.00 0.00 176.35 177.24 1wj2 n LEU 408 N 6.52 5.21 -4.83 -0.68 4.32 -1.26 -4.97 117.00 121.32 1wj2 n LEU 408 Ca 0.14 -4.00 -0.36 0.00 -0.02 0.00 0.00 56.01 51.78 1wj2 n LEU 408 Cb 0.44 -1.73 -0.06 0.00 -1.62 0.00 0.00 43.42 40.46 1wj2 n LEU 408 CO 0.57 0.32 0.36 -0.62 -1.22 0.00 0.00 177.39 176.81 1wj2 s ASP 409 N 3.96 6.97 -0.40 -1.43 -1.08 -1.26 -5.04 116.67 118.38 1wj2 s ASP 409 Ca 0.52 1.30 0.01 0.00 -0.52 0.00 0.00 52.55 53.87 1wj2 s ASP 409 Cb 0.05 -2.38 0.19 0.00 -1.46 0.00 0.00 42.92 39.32 1wj2 s ASP 409 CO 0.05 0.04 0.81 -0.62 0.52 0.00 0.00 175.17 175.97 1wj2 s ASP 410 N -1.72 -1.05 0.00 -0.34 -1.08 -1.26 -5.06 116.67 106.16 1wj2 s ASP 410 Ca 0.42 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1wj2 s ASP 410 Cb -0.16 1.35 0.00 0.00 -1.46 0.00 0.00 42.92 42.66 1wj2 s ASP 410 CO 0.20 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.41 1wj2 n GLY 411 N 3.77 1.10 3.79 2.66 0.00 -1.26 -5.02 105.19 110.23 1wj2 n GLY 411 Ca 0.11 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 2.84 -0.39 1.61 2.02 -1.26 -4.51 117.35 117.65 1wj2 s TYR 412 Ca 0.00 1.55 -0.17 0.00 -0.37 0.00 0.00 57.07 58.09 1wj2 s TYR 412 Cb 0.00 -3.16 0.01 0.00 -0.40 0.00 0.00 41.96 38.41 1wj2 s TYR 412 CO 0.00 -1.23 0.42 1.03 -1.57 0.00 0.00 175.55 174.20 1wj2 s ARG 413 N -3.43 3.27 0.27 -0.62 1.81 -1.26 -4.97 118.95 114.02 1wj2 s ARG 413 Ca 0.69 -0.62 0.08 0.00 -1.72 0.00 0.00 55.73 54.16 1wj2 s ARG 413 Cb -0.20 -3.91 -0.04 0.00 -0.45 0.00 0.00 34.95 30.36 1wj2 s ARG 413 CO 0.26 -0.74 0.18 -1.58 -0.68 0.00 0.00 175.30 172.74 1wj2 s TRP 414 N 2.12 2.99 -0.09 -0.53 0.52 -1.26 -1.98 118.94 120.71 1wj2 s TRP 414 Ca 0.12 -0.17 -0.09 0.00 0.02 0.00 0.00 56.10 55.98 1wj2 s TRP 414 Cb -0.17 -1.44 0.02 0.00 -1.15 0.00 0.00 33.47 30.74 1wj2 s TRP 414 CO 0.13 0.48 0.25 0.50 0.02 0.00 0.00 176.95 178.33 1wj2 s ARG 415 N -3.84 0.34 0.16 4.98 3.52 -0.10 -4.86 118.95 119.15 1wj2 s ARG 415 Ca 0.34 0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.92 1wj2 s ARG 415 Cb -0.07 0.16 -0.07 0.00 -1.56 0.00 0.00 34.95 33.41 1wj2 s ARG 415 CO 0.24 -0.05 0.95 0.21 -0.81 0.00 0.00 175.30 175.84 1wj2 s LYS 416 N -0.05 4.76 0.00 5.12 2.20 -1.26 -1.00 119.74 129.51 1wj2 s LYS 416 Ca -0.02 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1wj2 s LYS 416 Cb -0.02 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1wj2 s LYS 416 CO 0.01 0.33 0.00 2.48 -0.36 0.00 0.00 175.35 177.81 1wj2 n TYR 417 N 2.28 0.00 -4.30 4.03 4.11 -1.17 -4.99 117.16 117.13 1wj2 n TYR 417 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.74 1wj2 n TYR 417 Cb 0.48 0.16 -0.10 0.00 -0.00 0.00 0.00 39.34 39.88 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 -4.42 1.79 -0.29 -7.48 0.00 -1.24 -5.09 107.32 90.59 1wj2 s GLY 418 Ca 0.00 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.74 1wj2 s GLY 418 CO 0.00 -1.55 0.94 -0.86 0.00 0.00 0.00 173.10 171.62 1wj2 s GLN 419 N -3.98 0.47 0.21 2.90 -2.07 -1.26 -2.18 119.66 113.74 1wj2 s GLN 419 Ca 0.37 0.74 0.06 0.00 -1.82 0.00 0.00 55.36 54.72 1wj2 s GLN 419 Cb 0.07 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 1wj2 s GLN 419 CO 0.15 -0.09 0.17 0.15 -1.32 0.00 0.00 175.29 174.35 1wj2 s LYS 420 N 1.14 2.92 -0.04 9.60 -0.14 -0.52 -4.98 119.74 127.72 1wj2 s LYS 420 Ca -0.07 -0.95 0.04 0.00 -1.36 0.00 0.00 55.97 53.63 1wj2 s LYS 420 Cb -0.04 -2.61 -0.00 0.00 -1.68 0.00 0.00 37.83 33.50 1wj2 s LYS 420 CO -0.14 0.44 -0.15 0.54 -0.76 0.00 0.00 175.35 175.29 1wj2 s VAL 421 N -1.93 1.29 -0.16 3.17 0.11 -1.26 -1.07 120.40 120.55 1wj2 s VAL 421 Ca 0.32 -0.63 -0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1wj2 s VAL 421 Cb -0.09 -1.12 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1wj2 s VAL 421 CO 0.24 0.38 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.56 1wj2 s VAL 422 N 0.12 2.74 0.16 2.04 1.01 -1.26 -5.02 120.40 120.19 1wj2 s VAL 422 Ca -0.05 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 1wj2 s VAL 422 Cb -0.11 -2.16 -0.11 0.00 0.00 0.00 0.00 36.38 34.00 1wj2 s VAL 422 CO 0.02 0.51 1.72 -0.75 0.00 0.00 0.00 175.10 176.61 1wj2 s LYS 423 N 0.81 4.15 0.00 2.72 2.36 -1.26 -1.86 119.74 126.66 1wj2 s LYS 423 Ca -0.05 2.54 0.00 0.00 -2.55 0.00 0.00 55.97 55.91 1wj2 s LYS 423 Cb -0.15 -3.30 0.00 0.00 -1.05 0.00 0.00 37.83 33.33 1wj2 s LYS 423 CO 0.00 -0.76 0.00 0.41 1.55 0.00 0.00 175.35 176.56 1wj2 n GLY 424 N 4.02 3.07 3.58 5.54 0.00 -1.26 -5.02 105.19 115.12 1wj2 n GLY 424 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 0.63 6.57 0.25 1.61 -0.87 -0.78 -4.90 114.94 117.44 1wj2 s ASN 425 Ca 0.00 0.30 0.22 0.00 -1.57 0.00 0.00 52.86 51.80 1wj2 s ASN 425 Cb 0.00 -2.46 0.97 0.00 -0.02 0.00 0.00 41.25 39.73 1wj2 s ASN 425 CO 0.00 -1.01 1.66 -0.81 -2.57 0.00 0.00 177.10 174.37 1wj2 n PRO 426 N 7.12 0.16 -3.67 -0.60 -0.04 -1.26 -4.23 135.00 132.47 1wj2 n PRO 426 Ca 0.07 0.46 -0.38 0.00 -0.04 0.00 0.00 63.50 63.61 1wj2 n PRO 426 Cb 0.48 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 32.00 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 -3.34 3.49 1.10 0.54 2.02 -1.26 -5.09 117.35 114.81 1wj2 s TYR 427 Ca 0.03 -2.45 -0.20 0.00 -0.37 0.00 0.00 57.07 54.07 1wj2 s TYR 427 Cb 0.08 -3.31 0.05 0.00 -0.40 0.00 0.00 41.96 38.39 1wj2 s TYR 427 CO 0.33 -0.91 -0.27 -2.30 -1.57 0.00 0.00 175.55 170.83 1wj2 n PRO 428 N 4.01 -1.32 -3.73 -1.71 -0.02 -1.26 -4.71 135.00 126.26 1wj2 n PRO 428 Ca 0.03 -0.37 -0.37 0.00 -2.02 0.00 0.00 63.50 60.78 1wj2 n PRO 428 Cb 0.40 -1.58 -0.12 0.00 -0.02 0.00 0.00 33.50 32.18 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 -3.19 3.69 0.02 -0.52 0.52 -0.23 -4.74 118.95 114.49 1wj2 s ARG 429 Ca 0.53 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 1wj2 s ARG 429 Cb -0.08 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1wj2 s ARG 429 CO 0.66 -0.19 0.07 -1.12 0.02 0.00 0.00 175.30 174.75 1wj2 s SER 430 N 1.63 5.60 -0.15 0.23 0.01 -1.18 -1.44 113.70 118.41 1wj2 s SER 430 Ca 0.06 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.42 1wj2 s SER 430 Cb -0.15 -1.57 0.04 0.00 0.21 0.00 0.00 66.02 64.54 1wj2 s SER 430 CO 0.05 0.25 -0.04 -0.31 0.41 0.00 0.00 173.24 173.59 1wj2 s TYR 431 N -1.23 1.49 0.48 2.43 2.02 -0.93 -1.86 117.35 119.74 1wj2 s TYR 431 Ca 0.24 -0.91 0.07 0.00 -0.37 0.00 0.00 57.07 56.10 1wj2 s TYR 431 Cb -0.12 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1wj2 s TYR 431 CO 0.16 -0.57 0.40 0.71 -1.57 0.00 0.00 175.55 174.68 1wj2 s TYR 432 N 1.70 2.19 -0.25 2.71 2.02 -0.79 -3.05 117.35 121.89 1wj2 s TYR 432 Ca 0.02 -0.65 -0.12 0.00 -0.37 0.00 0.00 57.07 55.95 1wj2 s TYR 432 Cb -0.15 -2.06 0.08 0.00 -0.40 0.00 0.00 41.96 39.44 1wj2 s TYR 432 CO -0.08 -0.31 0.58 -1.59 -1.57 0.00 0.00 175.55 172.59 1wj2 s LYS 433 N -4.21 0.56 -0.70 -0.62 -2.85 -0.17 -1.95 119.74 109.81 1wj2 s LYS 433 Ca 0.43 1.14 -0.26 0.00 -1.00 0.00 0.00 55.97 56.28 1wj2 s LYS 433 Cb -0.02 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1wj2 s LYS 433 CO 0.26 -0.17 1.82 0.00 0.10 0.00 0.00 175.35 177.36 1wj2 n THR 435 N 7.29 4.91 -3.95 0.00 5.66 -0.84 -2.53 114.28 124.82 1wj2 n THR 435 Ca 0.24 -5.27 -0.25 0.00 -3.05 0.00 0.00 64.05 55.72 1wj2 n THR 435 Cb 0.51 -2.21 -0.03 0.00 -1.55 0.00 0.00 70.33 67.05 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 -1.40 5.29 -0.77 1.09 2.01 -0.95 -4.96 115.64 115.95 1wj2 s THR 436 Ca 0.35 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 1wj2 s THR 436 Cb 0.07 -3.76 -0.16 0.00 0.01 0.00 0.00 72.50 68.66 1wj2 s THR 436 CO 0.06 -0.15 2.51 -2.65 -0.69 0.00 0.00 174.62 173.70 1wj2 n PRO 437 N -0.76 0.49 0.00 4.92 -0.02 -1.26 0.16 135.00 138.53 1wj2 n PRO 437 Ca -0.07 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1wj2 n PRO 437 Cb 0.55 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 3.16 3.78 -1.23 0.00 -1.26 -4.90 105.19 110.97 1wj2 n GLY 438 Ca 0.52 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 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 2.53 3.78 3.90 0.00 0.00 -1.25 -2.23 105.19 111.92 1wj2 n GLY 440 Ca -0.11 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.49 4.90 0.00 1.61 1.01 -1.05 -4.92 120.40 119.47 1wj2 s VAL 441 Ca 0.40 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 1wj2 s VAL 441 Cb 0.30 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1wj2 s VAL 441 CO -0.09 -0.77 0.00 -0.13 0.00 0.00 0.00 175.10 174.11 1wj2 s ARG 442 N -4.54 0.07 -0.01 2.72 0.52 -0.64 -0.18 118.95 116.89 1wj2 s ARG 442 Ca 0.48 -0.12 -0.02 0.00 -0.52 0.00 0.00 55.73 55.56 1wj2 s ARG 442 Cb -0.10 0.03 -0.00 0.00 0.52 0.00 0.00 34.95 35.39 1wj2 s ARG 442 CO 0.42 -0.01 0.04 -1.59 0.02 0.00 0.00 175.30 174.17 1wj2 s LYS 443 N -0.30 0.15 -0.24 3.54 -2.85 -0.82 -0.42 119.74 118.80 1wj2 s LYS 443 Ca -0.03 -0.14 -0.02 0.00 -1.00 0.00 0.00 55.97 54.78 1wj2 s LYS 443 Cb -0.02 0.06 0.02 0.00 -2.06 0.00 0.00 37.83 35.83 1wj2 s LYS 443 CO -0.00 -0.03 -0.05 -1.01 0.10 0.00 0.00 175.35 174.36 1wj2 s HIS 444 N -0.45 3.04 -0.49 1.78 3.76 -0.65 -1.89 115.29 120.39 1wj2 s HIS 444 Ca -0.05 -1.41 -0.18 0.00 -0.15 0.00 0.00 55.06 53.26 1wj2 s HIS 444 Cb -0.03 -2.07 0.05 0.00 1.11 0.00 0.00 32.58 31.64 1wj2 s HIS 444 CO -0.00 -0.69 0.57 0.08 -0.85 0.00 0.00 174.74 173.84 1wj2 s VAL 445 N 1.36 4.96 -0.06 -0.90 1.01 -0.78 -2.41 120.40 123.58 1wj2 s VAL 445 Ca 0.02 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1wj2 s VAL 445 Cb -0.16 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1wj2 s VAL 445 CO -0.04 -0.71 -0.23 -1.61 0.00 0.00 0.00 175.10 172.51 1wj2 s GLU 446 N 2.42 2.40 -0.24 2.72 2.02 -0.75 -3.07 118.70 124.20 1wj2 s GLU 446 Ca 0.13 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 54.16 1wj2 s GLU 446 Cb -0.19 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 1wj2 s GLU 446 CO 0.12 0.35 0.22 1.03 0.02 0.00 0.00 175.26 176.99 1wj2 s ARG 447 N -0.11 4.07 -0.40 1.61 0.52 -1.26 -1.10 118.95 122.28 1wj2 s ARG 447 Ca -0.04 -0.18 -0.28 0.00 -0.52 0.00 0.00 55.73 54.71 1wj2 s ARG 447 Cb -0.13 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.76 1wj2 s ARG 447 CO 0.04 -0.01 1.70 0.00 0.02 0.00 0.00 175.30 177.04 1wj2 s ALA 448 N 1.26 2.80 -0.12 2.13 0.00 0.76 -4.87 121.76 123.71 1wj2 s ALA 448 Ca 0.10 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 1wj2 s ALA 448 Cb -0.14 -4.05 -0.14 0.00 0.00 0.00 0.00 23.12 18.79 1wj2 s ALA 448 CO 0.06 -2.79 0.39 0.00 0.00 0.00 0.00 175.76 173.43 1wj2 h ALA 449 N 12.59 0.01 -0.54 0.00 0.00 -1.96 -3.12 119.26 126.24 1wj2 h ALA 449 Ca -0.31 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.36 1wj2 h ALA 449 Cb 1.15 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1wj2 h ALA 449 CO 1.08 0.04 0.22 1.79 0.00 0.00 0.00 179.25 182.38 1wj2 h THR 450 N -1.00 0.86 -4.26 0.00 1.35 -1.99 -3.42 112.91 104.45 1wj2 h THR 450 Ca -0.01 -0.15 -0.52 0.00 -0.55 0.00 0.00 66.41 65.18 1wj2 h THR 450 Cb 0.56 0.39 0.16 0.00 -1.73 0.00 0.00 68.15 67.54 1wj2 h THR 450 CO -0.01 0.08 0.30 -1.81 -0.25 0.00 0.00 175.52 173.83 1wj2 s ASP 451 N -5.43 3.79 -0.54 5.36 1.11 -1.26 -4.81 116.67 114.89 1wj2 s ASP 451 Ca -0.13 2.10 -0.18 0.00 0.18 0.00 0.00 52.55 54.53 1wj2 s ASP 451 Cb 0.15 -2.56 -0.16 0.00 1.07 0.00 0.00 42.92 41.42 1wj2 s ASP 451 CO 0.74 -2.52 1.77 -0.81 1.18 0.00 0.00 175.17 175.53 1wj2 n PRO 452 N -3.59 1.11 -2.72 8.23 -0.04 -1.26 -4.29 135.00 132.44 1wj2 n PRO 452 Ca 0.11 -1.40 -0.06 0.00 -0.04 0.00 0.00 63.50 62.11 1wj2 n PRO 452 Cb 0.52 -2.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.38 1wj2 n PRO 452 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wj2 n LYS 453 N 6.36 -2.40 -4.38 0.54 4.76 -1.26 -5.06 118.16 116.71 1wj2 n LYS 453 Ca 0.42 2.12 -0.20 0.00 -2.87 0.00 0.00 58.31 57.78 1wj2 n LYS 453 Cb 0.30 -5.30 -0.10 0.00 -1.84 0.00 0.00 35.03 28.08 1wj2 n LYS 453 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wj2 s ALA 454 N -2.30 2.21 -0.30 7.82 0.00 -1.18 -5.01 121.76 123.01 1wj2 s ALA 454 Ca 0.19 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1wj2 s ALA 454 Cb -0.05 -0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.09 1wj2 s ALA 454 CO 0.71 0.08 0.06 0.08 0.00 0.00 0.00 175.76 176.70 1wj2 s VAL 455 N -2.89 1.20 0.10 0.00 1.01 -1.26 -0.17 120.40 118.38 1wj2 s VAL 455 Ca 0.25 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 1wj2 s VAL 455 Cb -0.01 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1wj2 s VAL 455 CO 0.09 -0.54 0.36 0.54 0.00 0.00 0.00 175.10 175.55 1wj2 s VAL 456 N 1.47 5.17 -0.01 2.92 0.11 -0.26 -4.95 120.40 124.84 1wj2 s VAL 456 Ca 0.07 0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1wj2 s VAL 456 Cb -0.18 -3.62 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 1wj2 s VAL 456 CO -0.18 0.19 0.15 -0.89 -3.33 0.00 0.00 175.10 171.04 1wj2 s THR 457 N -1.50 0.06 -0.19 5.04 2.01 -1.26 -1.81 115.64 117.99 1wj2 s THR 457 Ca 0.36 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1wj2 s THR 457 Cb -0.13 -0.39 0.05 0.00 0.01 0.00 0.00 72.50 72.04 1wj2 s THR 457 CO 0.21 -0.28 -0.03 -0.89 -0.69 0.00 0.00 174.62 172.94 1wj2 s THR 458 N -1.00 1.06 0.07 -0.82 2.01 -1.01 -4.97 115.64 110.97 1wj2 s THR 458 Ca -0.11 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 1wj2 s THR 458 Cb -0.06 -1.34 -0.06 0.00 0.01 0.00 0.00 72.50 71.05 1wj2 s THR 458 CO 0.01 -0.02 0.37 -0.31 -0.69 0.00 0.00 174.62 173.98 1wj2 s TYR 459 N 1.63 3.57 -0.17 4.92 1.51 -1.26 -1.64 117.35 125.92 1wj2 s TYR 459 Ca -0.01 0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 56.71 1wj2 s TYR 459 Cb -0.17 -2.10 0.07 0.00 -0.11 0.00 0.00 41.96 39.65 1wj2 s TYR 459 CO -0.07 0.53 0.15 -1.21 -1.11 0.00 0.00 175.55 173.84 1wj2 s GLU 460 N -1.98 0.10 0.00 -0.62 0.41 0.44 -4.99 118.70 112.06 1wj2 s GLU 460 Ca 0.33 0.14 0.00 0.00 -0.41 0.00 0.00 54.97 55.03 1wj2 s GLU 460 Cb -0.14 -1.31 0.00 0.00 -1.78 0.00 0.00 34.13 30.90 1wj2 s GLU 460 CO 0.18 -0.60 0.00 0.41 -0.49 0.00 0.00 175.26 174.76 1wj2 n GLY 461 N 5.30 2.46 3.85 -1.39 0.00 -1.26 -1.63 105.19 112.52 1wj2 n GLY 461 Ca -0.06 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.15 2.66 0.06 1.61 1.02 -1.26 -4.83 119.74 115.85 1wj2 s LYS 462 Ca 0.00 -1.37 -0.20 0.00 0.02 0.00 0.00 55.97 54.43 1wj2 s LYS 462 Cb 0.00 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.81 1wj2 s LYS 462 CO 0.00 0.03 0.58 -1.01 -0.92 0.00 0.00 175.35 174.03 1wj2 s HIS 463 N -2.35 3.79 -0.33 3.18 3.76 -1.26 -4.58 115.29 117.50 1wj2 s HIS 463 Ca 0.42 1.27 0.07 0.00 -0.15 0.00 0.00 55.06 56.68 1wj2 s HIS 463 Cb -0.05 -2.52 0.48 0.00 1.11 0.00 0.00 32.58 31.60 1wj2 s HIS 463 CO 0.27 0.55 1.45 0.09 -0.85 0.00 0.00 174.74 176.25 1wj2 n ASN 464 N 1.86 3.64 -3.65 1.40 4.13 -1.26 -5.00 115.26 116.39 1wj2 n ASN 464 Ca -0.10 -3.80 -0.14 0.00 1.68 0.00 0.00 54.58 52.23 1wj2 n ASN 464 Cb 0.51 -0.60 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 1wj2 n ASN 464 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1wj2 s HIS 465 N -3.41 -0.32 0.66 3.10 -3.43 -1.26 -4.74 115.29 105.88 1wj2 s HIS 465 Ca 0.48 0.39 -0.12 0.00 -0.80 0.00 0.00 55.06 55.01 1wj2 s HIS 465 Cb 0.42 0.24 -0.01 0.00 -1.43 0.00 0.00 32.58 31.80 1wj2 s HIS 465 CO 0.00 -0.55 1.05 -0.51 -2.00 0.00 0.00 174.74 172.73 1wj2 s ASP 466 N -1.77 5.58 -0.24 7.38 1.11 -1.26 -4.92 116.67 122.54 1wj2 s ASP 466 Ca -0.08 1.65 -0.29 0.00 0.18 0.00 0.00 52.55 54.01 1wj2 s ASP 466 Cb -0.01 -2.50 -0.06 0.00 1.07 0.00 0.00 42.92 41.41 1wj2 s ASP 466 CO 0.01 -1.31 2.23 0.18 1.18 0.00 0.00 175.17 177.46 1wj2 n LEU 467 N -2.79 3.11 0.00 1.23 4.77 -1.26 -4.95 117.00 117.11 1wj2 n LEU 467 Ca 0.08 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1wj2 n LEU 467 Cb 0.53 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.11 1wj2 n LEU 467 CO 0.54 -0.73 0.01 -2.65 -1.33 0.00 0.00 177.39 173.23 1wj2 n PRO 468 N 8.72 -1.18 0.00 3.23 -0.02 -1.26 -5.11 135.00 139.38 1wj2 n PRO 468 Ca 0.31 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1wj2 n PRO 468 Cb 0.43 -0.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 1wj2 n PRO 468 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48