#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj4 s SER 2 N 0.00 -0.32 0.00 1.61 0.15 -1.26 -5.19 113.70 108.70 1wj4 s SER 2 Ca 0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wj4 s SER 2 Cb 0.00 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1wj4 s SER 2 CO 0.00 -1.00 0.00 -0.24 1.20 0.00 0.00 173.24 173.20 1wj4 n SER 3 N -0.41 0.00 0.00 5.45 2.88 -1.26 -5.19 113.62 115.09 1wj4 n SER 3 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1wj4 n SER 3 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1wj4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj4 n GLY 4 N -0.17 3.58 0.00 0.46 0.00 -1.26 -5.19 105.19 102.61 1wj4 n GLY 4 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1wj4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wj4 n SER 5 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.19 113.62 112.19 1wj4 n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wj4 n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wj4 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wj4 n SER 6 N 0.00 0.00 0.00 4.04 2.88 -1.26 -5.19 113.62 114.09 1wj4 n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wj4 n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wj4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj4 n GLY 7 N -0.13 1.73 3.61 0.46 0.00 -1.26 -5.19 105.19 104.41 1wj4 n GLY 7 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wj4 s THR 8 N -2.00 0.00 0.00 2.61 -1.32 -1.26 -5.19 115.64 108.48 1wj4 s THR 8 Ca 0.00 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1wj4 s THR 8 Cb 0.00 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 1wj4 s THR 8 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1wj4 n ALA 9 N -0.28 0.00 -3.60 11.08 0.00 -1.26 -5.19 120.51 121.26 1wj4 n ALA 9 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1wj4 n ALA 9 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 1wj4 n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wj4 s THR 10 N -2.00 0.00 -0.20 0.00 -1.32 -1.26 -5.19 115.64 105.68 1wj4 s THR 10 Ca 0.00 0.00 -0.36 0.00 -1.21 0.00 0.00 61.69 60.12 1wj4 s THR 10 Cb 0.00 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 1wj4 s THR 10 CO 0.00 0.00 1.36 0.54 -2.21 0.00 0.00 174.62 174.31 1wj4 s ASN 11 N -1.13 -0.04 -0.30 8.08 2.20 -1.26 -5.17 114.94 117.33 1wj4 s ASN 11 Ca 0.02 -0.02 -0.17 0.00 -0.94 0.00 0.00 52.86 51.75 1wj4 s ASN 11 Cb -0.01 0.05 0.20 0.00 -2.00 0.00 0.00 41.25 39.49 1wj4 s ASN 11 CO -0.02 -0.08 1.25 -1.38 -2.94 0.00 0.00 177.10 173.93 1wj4 s HIS 12 N -2.14 -0.11 0.29 1.54 -3.43 -1.26 -5.19 115.29 105.00 1wj4 s HIS 12 Ca 0.12 0.20 -0.19 0.00 -0.80 0.00 0.00 55.06 54.40 1wj4 s HIS 12 Cb 0.02 0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.29 1wj4 s HIS 12 CO -0.04 -0.05 0.85 -1.14 -2.00 0.00 0.00 174.74 172.36 1wj4 s GLN 13 N 1.52 1.82 0.00 -0.38 0.74 -1.26 -5.19 119.66 116.91 1wj4 s GLN 13 Ca -0.04 -1.13 0.00 0.00 0.05 0.00 0.00 55.36 54.24 1wj4 s GLN 13 Cb -0.02 0.54 0.00 0.00 1.10 0.00 0.00 33.01 34.63 1wj4 s GLN 13 CO -0.13 -0.85 0.00 0.41 -0.55 0.00 0.00 175.29 174.17 1wj4 n GLY 14 N -0.55 2.39 3.64 2.59 0.00 -1.26 -5.18 105.19 106.83 1wj4 n GLY 14 Ca -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 1wj4 n GLY 14 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wj4 s LEU 15 N 0.00 -0.38 0.69 0.99 -0.00 -1.26 -5.17 118.68 113.56 1wj4 s LEU 15 Ca 0.00 0.67 -0.11 0.00 -0.00 0.00 0.00 54.13 54.69 1wj4 s LEU 15 Cb 0.00 1.65 0.01 0.00 -0.00 0.00 0.00 46.19 47.85 1wj4 s LEU 15 CO 0.00 -0.11 1.06 -2.16 -0.00 0.00 0.00 176.35 175.14 1wj4 s PRO 16 N 0.61 2.94 0.25 1.48 0.04 -1.26 -5.08 135.00 133.98 1wj4 s PRO 16 Ca -0.01 0.95 0.02 0.00 0.04 0.00 0.00 61.00 62.00 1wj4 s PRO 16 Cb -0.04 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1wj4 s PRO 16 CO -0.11 -1.10 0.20 0.00 0.04 0.00 0.00 177.00 176.03 1wj4 s ALA 17 N -3.05 1.38 0.57 8.56 0.00 -1.26 -5.18 121.76 122.78 1wj4 s ALA 17 Ca 0.58 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1wj4 s ALA 17 Cb -0.14 1.41 0.10 0.00 0.00 0.00 0.00 23.12 24.49 1wj4 s ALA 17 CO 0.55 -0.63 0.74 1.33 0.00 0.00 0.00 175.76 177.75 1wj4 n VAL 18 N -0.40 0.00 -3.58 0.00 0.24 -1.26 -5.13 118.33 108.20 1wj4 n VAL 18 Ca 0.04 -1.48 0.02 0.00 -2.04 0.00 0.00 64.34 60.88 1wj4 n VAL 18 Cb 0.64 -0.76 -0.01 0.00 -1.47 0.00 0.00 33.84 32.25 1wj4 n VAL 18 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wj4 s ASP 19 N -4.16 -0.00 -0.02 -1.34 2.15 -1.26 -5.17 116.67 106.88 1wj4 s ASP 19 Ca 0.53 -0.00 0.03 0.00 0.43 0.00 0.00 52.55 53.53 1wj4 s ASP 19 Cb -0.04 0.00 -0.00 0.00 -0.30 0.00 0.00 42.92 42.58 1wj4 s ASP 19 CO 0.34 -0.01 -0.10 -0.55 -0.17 0.00 0.00 175.17 174.69 1wj4 s SER 20 N -2.73 1.24 0.03 -0.34 0.15 -1.26 -5.05 113.70 105.73 1wj4 s SER 20 Ca 0.14 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1wj4 s SER 20 Cb 0.06 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1wj4 s SER 20 CO -0.06 0.10 0.00 -0.62 1.20 0.00 0.00 173.24 173.86 1wj4 n GLU 21 N 3.07 0.00 -1.79 5.44 -0.58 -1.26 -5.03 120.64 120.48 1wj4 n GLU 21 Ca -0.16 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.16 1wj4 n GLU 21 Cb 0.55 -0.14 -0.03 0.00 -0.57 0.00 0.00 31.44 31.25 1wj4 n GLU 21 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wj4 s ILE 22 N -1.30 2.18 0.44 -3.67 1.01 -1.26 -4.98 121.20 113.61 1wj4 s ILE 22 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 1wj4 s ILE 22 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1wj4 s ILE 22 CO 0.00 0.01 0.72 -0.76 0.00 0.00 0.00 174.94 174.92 1wj4 s LEU 23 N 0.66 3.74 -1.49 2.97 1.43 -1.26 -4.96 118.68 119.78 1wj4 s LEU 23 Ca 0.70 0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 54.50 1wj4 s LEU 23 Cb -0.48 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 1wj4 s LEU 23 CO 0.36 -0.49 2.45 -0.62 0.23 0.00 0.00 176.35 178.29 1wj4 n GLU 24 N -2.03 3.07 -1.79 1.70 1.02 -1.26 -4.74 120.64 116.61 1wj4 n GLU 24 Ca -0.01 -2.44 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 1wj4 n GLU 24 Cb 0.55 -3.11 0.00 0.00 -0.02 0.00 0.00 31.44 28.86 1wj4 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wj4 n MET 25 N 5.30 -0.12 -2.43 3.49 0.00 -1.26 -4.85 117.12 117.26 1wj4 n MET 25 Ca 0.60 0.37 -0.34 0.00 0.00 0.00 0.00 57.70 58.33 1wj4 n MET 25 Cb 0.34 -0.46 -0.02 0.00 0.00 0.00 0.00 33.22 33.07 1wj4 n MET 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wj4 s PRO 26 N -0.48 3.70 1.01 3.17 0.04 -1.26 -5.05 135.00 136.13 1wj4 s PRO 26 Ca 0.00 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 1wj4 s PRO 26 Cb 0.00 -2.08 0.24 0.00 0.04 0.00 0.00 34.50 32.70 1wj4 s PRO 26 CO 0.00 -0.51 1.11 -0.35 0.04 0.00 0.00 177.00 177.30 1wj4 n PRO 27 N -1.23 -2.06 0.00 0.56 -0.04 -1.26 -5.10 135.00 125.87 1wj4 n PRO 27 Ca 0.09 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1wj4 n PRO 27 Cb 0.53 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1wj4 n PRO 27 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wj4 n GLU 28 N -4.06 0.00 -3.71 0.54 1.02 -1.26 -5.19 120.64 107.98 1wj4 n GLU 28 Ca 0.15 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1wj4 n GLU 28 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.94 1wj4 n GLU 28 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wj4 s LYS 29 N -0.72 1.29 -0.30 3.49 -2.85 -1.26 -5.15 119.74 114.24 1wj4 s LYS 29 Ca 0.00 -0.67 -0.17 0.00 -1.00 0.00 0.00 55.97 54.14 1wj4 s LYS 29 Cb 0.00 0.47 0.17 0.00 -2.06 0.00 0.00 37.83 36.41 1wj4 s LYS 29 CO 0.00 -0.58 1.19 0.00 0.10 0.00 0.00 175.35 176.06 1wj4 s ALA 30 N -3.45 -3.98 0.00 0.59 0.00 -1.26 -5.17 121.76 108.48 1wj4 s ALA 30 Ca 0.10 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1wj4 s ALA 30 Cb -0.02 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1wj4 s ALA 30 CO 0.00 -1.66 0.00 -3.47 0.00 0.00 0.00 175.76 170.63 1wj4 n ASP 31 N 5.39 0.00 0.00 0.00 -0.08 -1.26 -5.19 116.55 115.41 1wj4 n ASP 31 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1wj4 n ASP 31 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 1wj4 n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wj4 n GLY 32 N -0.31 4.60 0.00 0.27 0.00 -1.26 -5.12 105.19 103.36 1wj4 n GLY 32 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1wj4 n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wj4 n VAL 33 N 0.00 0.00 -3.56 1.61 3.14 -1.26 -5.10 118.33 113.16 1wj4 n VAL 33 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1wj4 n VAL 33 Cb 0.00 -0.62 -0.04 0.00 -1.06 0.00 0.00 33.84 32.12 1wj4 n VAL 33 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wj4 s VAL 34 N 0.00 -0.95 0.37 1.55 0.11 -1.26 -5.17 120.40 115.05 1wj4 s VAL 34 Ca 0.00 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 1wj4 s VAL 34 Cb 0.00 -0.96 -0.07 0.00 -1.53 0.00 0.00 36.38 33.82 1wj4 s VAL 34 CO 0.00 0.00 0.02 -1.61 -3.33 0.00 0.00 175.10 170.18 1wj4 s GLU 35 N 2.85 1.84 0.00 1.54 2.02 -1.26 -5.10 118.70 120.59 1wj4 s GLU 35 Ca -0.01 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 52.96 1wj4 s GLU 35 Cb -0.13 -1.38 0.00 0.00 0.10 0.00 0.00 34.13 32.72 1wj4 s GLU 35 CO -0.19 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1wj4 n GLY 36 N -0.85 -0.55 3.20 -1.39 0.00 -1.26 -5.10 105.19 99.24 1wj4 n GLY 36 Ca -0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1wj4 n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wj4 n ILE 37 N 0.00 -2.41 -1.14 -0.61 -0.00 -1.26 -4.87 119.36 109.08 1wj4 n ILE 37 Ca 0.00 0.38 -0.31 0.00 -0.00 0.00 0.00 62.75 62.82 1wj4 n ILE 37 Cb 0.00 -3.04 0.12 0.00 -0.00 0.00 0.00 39.64 36.72 1wj4 n ILE 37 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.55 178.06 1wj4 s ASP 38 N -1.09 3.93 0.22 4.38 1.47 -1.26 -5.05 116.67 119.28 1wj4 s ASP 38 Ca 0.10 1.80 0.09 0.00 1.18 0.00 0.00 52.55 55.72 1wj4 s ASP 38 Cb -0.01 -2.45 -0.04 0.00 -0.34 0.00 0.00 42.92 40.08 1wj4 s ASP 38 CO 0.22 -2.40 -0.00 0.68 0.68 0.00 0.00 175.17 174.35 1wj4 s VAL 39 N -2.86 3.57 -0.17 2.11 -7.23 -1.26 -5.09 120.40 109.48 1wj4 s VAL 39 Ca 0.63 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 1wj4 s VAL 39 Cb -0.18 -2.86 -0.00 0.00 0.56 0.00 0.00 36.38 33.90 1wj4 s VAL 39 CO 0.57 -0.26 1.07 0.20 -0.31 0.00 0.00 175.10 176.37 1wj4 s ASN 40 N -3.34 7.13 0.00 4.85 -0.87 -1.26 -4.88 114.94 116.56 1wj4 s ASN 40 Ca 0.29 1.51 0.00 0.00 -1.57 0.00 0.00 52.86 53.09 1wj4 s ASN 40 Cb -0.08 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1wj4 s ASN 40 CO 0.19 -0.60 0.00 0.61 -2.57 0.00 0.00 177.10 174.73 1wj4 n GLY 41 N 3.28 0.30 3.73 0.66 0.00 -1.26 -5.10 105.19 106.80 1wj4 n GLY 41 Ca 0.11 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1wj4 n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj4 s PRO 42 N -1.80 4.51 0.06 1.61 0.04 -1.26 -5.04 135.00 133.12 1wj4 s PRO 42 Ca 0.00 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1wj4 s PRO 42 Cb 0.00 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1wj4 s PRO 42 CO 0.00 -0.09 0.04 0.21 0.04 0.00 0.00 177.00 177.20 1wj4 s LYS 43 N 0.35 2.78 -0.31 4.56 2.20 -1.26 -4.32 119.74 123.73 1wj4 s LYS 43 Ca 0.54 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 55.25 1wj4 s LYS 43 Cb -0.29 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 1wj4 s LYS 43 CO 0.32 0.58 0.61 0.00 -0.36 0.00 0.00 175.35 176.50 1wj4 s ALA 44 N -1.28 3.52 -0.37 3.13 0.00 0.53 -4.87 121.76 122.42 1wj4 s ALA 44 Ca 0.25 -0.71 -0.25 0.00 0.00 0.00 0.00 51.96 51.25 1wj4 s ALA 44 Cb -0.12 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 19.94 1wj4 s ALA 44 CO 0.17 -1.09 0.89 -0.65 0.00 0.00 0.00 175.76 175.08 1wj4 s GLN 45 N 2.57 3.82 -0.11 0.00 -0.21 -1.08 -1.10 119.66 123.55 1wj4 s GLN 45 Ca 0.24 0.51 -0.01 0.00 0.02 0.00 0.00 55.36 56.12 1wj4 s GLN 45 Cb -0.15 -3.81 -0.03 0.00 1.00 0.00 0.00 33.01 30.03 1wj4 s GLN 45 CO 0.12 -0.93 -0.06 -0.51 -2.12 0.00 0.00 175.29 171.79 1wj4 s LEU 46 N 3.39 3.13 -0.64 2.90 2.01 -0.30 -1.59 118.68 127.59 1wj4 s LEU 46 Ca 0.37 -0.11 -0.11 0.00 0.01 0.00 0.00 54.13 54.28 1wj4 s LEU 46 Cb -0.12 -1.72 0.17 0.00 0.01 0.00 0.00 46.19 44.53 1wj4 s LEU 46 CO 0.18 0.25 0.55 -0.32 1.01 0.00 0.00 176.35 178.03 1wj4 s MET 47 N -0.14 3.02 -0.09 1.70 -2.45 -0.85 -0.49 119.30 119.99 1wj4 s MET 47 Ca 0.02 -2.13 -0.30 0.00 -1.25 0.00 0.00 55.69 52.03 1wj4 s MET 47 Cb -0.13 -4.16 -0.04 0.00 1.25 0.00 0.00 34.83 31.74 1wj4 s MET 47 CO 0.03 -1.26 1.52 -0.51 1.05 0.00 0.00 175.02 175.85 1wj4 s LEU 48 N 0.74 4.27 -0.26 4.11 1.43 0.54 -1.10 118.68 128.41 1wj4 s LEU 48 Ca 0.11 2.05 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 1wj4 s LEU 48 Cb -0.20 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.54 1wj4 s LEU 48 CO -0.03 -0.87 -0.09 -0.13 0.23 0.00 0.00 176.35 175.45 1wj4 s ARG 49 N 3.85 2.31 0.54 1.70 1.81 0.83 0.19 118.95 130.19 1wj4 s ARG 49 Ca 0.67 -1.31 -0.14 0.00 -1.72 0.00 0.00 55.73 53.23 1wj4 s ARG 49 Cb -0.29 -2.93 -0.07 0.00 -0.45 0.00 0.00 34.95 31.21 1wj4 s ARG 49 CO 0.24 -0.56 0.99 0.71 -0.68 0.00 0.00 175.30 176.00 1wj4 s TYR 50 N 1.14 3.51 0.17 -0.53 2.02 0.17 0.13 117.35 123.96 1wj4 s TYR 50 Ca -0.08 1.39 0.02 0.00 -0.37 0.00 0.00 57.07 58.03 1wj4 s TYR 50 Cb -0.20 -2.75 0.04 0.00 -0.40 0.00 0.00 41.96 38.65 1wj4 s TYR 50 CO -0.05 -0.46 1.41 -1.00 -1.57 0.00 0.00 175.55 173.88 1wj4 h PRO 51 N 0.54 0.25 -0.48 -1.71 0.13 -1.80 -3.06 132.00 125.86 1wj4 h PRO 51 Ca -0.46 -0.24 0.14 0.00 -0.87 0.00 0.00 66.00 64.57 1wj4 h PRO 51 Cb 1.19 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1wj4 h PRO 51 CO 0.62 0.94 0.68 0.22 -0.23 0.00 0.00 178.00 180.23 1wj4 h ASP 52 N 0.15 0.00 0.00 1.44 1.82 -1.93 -3.43 116.42 114.47 1wj4 h ASP 52 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1wj4 h ASP 52 Cb 1.42 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.43 1wj4 h ASP 52 CO 0.13 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.37 1wj4 n GLY 53 N -1.51 2.02 3.89 -0.78 0.00 -1.15 -5.11 105.19 102.55 1wj4 n GLY 53 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1wj4 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj4 s LYS 54 N 0.00 3.18 0.21 1.61 1.02 -1.26 -4.89 119.74 119.62 1wj4 s LYS 54 Ca 0.00 0.36 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 1wj4 s LYS 54 Cb 0.00 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1wj4 s LYS 54 CO 0.00 -0.68 0.16 -0.98 -0.92 0.00 0.00 175.35 172.93 1wj4 s ARG 55 N -5.10 1.27 -0.28 1.68 1.70 -1.26 -0.65 118.95 116.29 1wj4 s ARG 55 Ca 0.54 -1.65 -0.17 0.00 -0.47 0.00 0.00 55.73 53.98 1wj4 s ARG 55 Cb -0.11 0.28 0.11 0.00 -0.57 0.00 0.00 34.95 34.66 1wj4 s ARG 55 CO 0.49 -0.42 0.83 -2.00 -1.08 0.00 0.00 175.30 173.12 1wj4 s GLU 56 N -4.08 0.57 -0.11 3.89 2.12 0.52 -4.92 118.70 116.68 1wj4 s GLU 56 Ca 0.39 0.94 -0.03 0.00 0.36 0.00 0.00 54.97 56.62 1wj4 s GLU 56 Cb 0.06 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.56 1wj4 s GLU 56 CO 0.13 -0.11 0.03 -1.14 -0.54 0.00 0.00 175.26 173.63 1wj4 s GLN 57 N 1.34 3.22 0.26 4.30 0.74 -1.26 0.20 119.66 128.46 1wj4 s GLN 57 Ca -0.08 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 54.98 1wj4 s GLN 57 Cb -0.04 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 1wj4 s GLN 57 CO -0.16 0.63 0.13 0.96 -0.55 0.00 0.00 175.29 176.31 1wj4 s ILE 58 N -0.67 0.34 -0.11 -2.34 -4.36 0.35 -4.93 121.20 109.48 1wj4 s ILE 58 Ca 0.11 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1wj4 s ILE 58 Cb -0.12 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 41.06 1wj4 s ILE 58 CO 0.02 0.00 -0.08 -0.89 0.24 0.00 0.00 174.94 174.23 1wj4 s THR 59 N -3.79 1.05 0.22 8.37 2.01 -1.26 -1.14 115.64 121.11 1wj4 s THR 59 Ca 0.37 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.13 1wj4 s THR 59 Cb 0.07 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1wj4 s THR 59 CO 0.15 0.37 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.58 1wj4 s LEU 60 N 1.63 2.52 0.55 4.42 1.43 -0.26 -4.93 118.68 124.03 1wj4 s LEU 60 Ca 0.04 -1.08 -0.17 0.00 -1.03 0.00 0.00 54.13 51.89 1wj4 s LEU 60 Cb -0.13 -0.64 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1wj4 s LEU 60 CO -0.08 -0.24 1.04 -2.16 0.23 0.00 0.00 176.35 175.15 1wj4 s PRO 61 N -3.68 3.55 0.50 1.29 0.04 -1.26 0.20 135.00 135.64 1wj4 s PRO 61 Ca 0.25 1.24 0.31 0.00 0.04 0.00 0.00 61.00 62.84 1wj4 s PRO 61 Cb 0.01 -2.06 1.18 0.00 0.04 0.00 0.00 34.50 33.66 1wj4 s PRO 61 CO 0.08 -0.62 1.90 0.93 0.04 0.00 0.00 177.00 179.33 1wj4 h GLU 62 N 0.90 0.00 -0.00 4.56 5.08 -1.93 -2.16 114.58 121.03 1wj4 h GLU 62 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1wj4 h GLU 62 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wj4 h GLU 62 CO 0.58 0.00 -0.59 0.00 -1.00 0.00 0.00 179.01 178.00 1wj4 n GLN 63 N -3.00 0.21 -2.01 2.33 10.64 -1.26 -2.32 117.38 121.97 1wj4 n GLN 63 Ca 0.01 -0.14 -0.42 0.00 -1.83 0.00 0.00 57.00 54.62 1wj4 n GLN 63 Cb 0.33 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.19 1wj4 n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wj4 s ALA 64 N -2.89 3.68 0.25 2.61 0.00 -0.81 -4.66 121.76 119.94 1wj4 s ALA 64 Ca 0.13 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1wj4 s ALA 64 Cb 0.17 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 1wj4 s ALA 64 CO 0.71 -0.73 1.53 0.15 0.00 0.00 0.00 175.76 177.42 1wj4 s LYS 65 N 0.48 4.20 0.35 0.00 -0.14 -1.26 -0.62 119.74 122.75 1wj4 s LYS 65 Ca 0.64 2.43 0.15 0.00 -1.36 0.00 0.00 55.97 57.84 1wj4 s LYS 65 Cb -0.42 -3.08 1.15 0.00 -1.68 0.00 0.00 37.83 33.81 1wj4 s LYS 65 CO 0.36 -0.54 1.60 1.25 -0.76 0.00 0.00 175.35 177.26 1wj4 h LEU 66 N 5.28 0.23 -1.00 3.17 7.12 -1.52 2.09 115.31 130.67 1wj4 h LEU 66 Ca -0.46 0.24 0.25 0.00 0.13 0.00 0.00 57.88 58.04 1wj4 h LEU 66 Cb 1.22 0.27 -0.13 0.00 -0.53 0.00 0.00 40.66 41.49 1wj4 h LEU 66 CO 0.81 -0.33 0.58 0.25 -0.13 0.00 0.00 178.44 179.62 1wj4 h LEU 67 N 0.10 0.65 -0.57 2.25 6.46 -1.88 0.31 115.31 122.62 1wj4 h LEU 67 Ca 0.76 0.14 0.11 0.00 -0.12 0.00 0.00 57.88 58.78 1wj4 h LEU 67 Cb 1.88 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 41.74 1wj4 h LEU 67 CO -0.74 0.09 -0.19 0.00 -0.62 0.00 0.00 178.44 176.97 1wj4 h ALA 68 N 1.74 0.27 -0.47 1.25 0.00 0.31 2.21 119.26 124.56 1wj4 h ALA 68 Ca 0.64 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.64 1wj4 h ALA 68 Cb 1.23 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1wj4 h ALA 68 CO -0.48 -0.50 -0.20 1.25 0.00 0.00 0.00 179.25 179.32 1wj4 h LEU 69 N -0.06 0.95 -0.40 0.00 7.12 -0.53 -1.86 115.31 120.53 1wj4 h LEU 69 Ca 0.27 -0.35 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 1wj4 h LEU 69 Cb 0.47 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 1wj4 h LEU 69 CO -0.61 1.12 0.23 0.58 -0.13 0.00 0.00 178.44 179.63 1wj4 h VAL 70 N 0.81 1.14 -0.90 1.05 2.07 0.12 -2.00 116.25 118.55 1wj4 h VAL 70 Ca 0.11 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1wj4 h VAL 70 Cb 0.75 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1wj4 h VAL 70 CO 0.06 0.14 0.58 0.11 0.02 0.00 0.00 177.57 178.49 1wj4 h LYS 71 N 0.52 1.10 0.27 1.57 1.57 0.37 0.17 116.57 122.13 1wj4 h LYS 71 Ca 0.14 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wj4 h LYS 71 Cb 0.03 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1wj4 h LYS 71 CO -0.02 0.73 -0.43 1.25 -0.57 0.00 0.00 179.45 180.40 1wj4 h HIS 72 N 1.13 -1.22 0.00 -1.35 2.76 -0.64 0.61 115.15 116.44 1wj4 h HIS 72 Ca 0.36 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1wj4 h HIS 72 Cb 0.00 0.49 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 1wj4 h HIS 72 CO -0.02 -0.53 -0.00 0.28 -1.30 0.00 0.00 177.93 176.36 1wj4 h VAL 73 N -0.74 0.25 -0.04 5.26 2.07 -1.11 0.17 116.25 122.10 1wj4 h VAL 73 Ca -0.03 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1wj4 h VAL 73 Cb 0.68 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1wj4 h VAL 73 CO -0.14 0.00 -0.08 -0.61 0.02 0.00 0.00 177.57 176.77 1wj4 h GLN 74 N 0.00 0.12 0.00 1.57 4.15 0.18 -0.72 115.11 120.42 1wj4 h GLN 74 Ca -0.00 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 1wj4 h GLN 74 Cb 0.02 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1wj4 h GLN 74 CO 0.00 0.65 -0.38 0.77 -1.93 0.00 0.00 178.83 177.94 1wj4 h SER 75 N -0.39 0.00 -0.52 -0.69 0.02 0.11 -3.02 113.55 109.06 1wj4 h SER 75 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1wj4 h SER 75 Cb 0.64 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1wj4 h SER 75 CO 0.02 0.38 0.24 0.11 -1.14 0.00 0.00 176.83 176.44 1wj4 h LYS 76 N 0.00 0.76 0.00 3.45 1.79 -0.65 -3.46 116.57 118.46 1wj4 h LYS 76 Ca -0.00 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1wj4 h LYS 76 Cb 0.95 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1wj4 h LYS 76 CO 0.05 0.64 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 1wj4 n GLY 77 N -0.88 0.00 3.16 3.86 0.00 -1.01 -5.09 105.19 105.23 1wj4 n GLY 77 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1wj4 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wj4 s TYR 78 N 0.00 -1.80 0.08 1.61 1.51 -0.31 -5.01 117.35 113.43 1wj4 s TYR 78 Ca 0.00 0.95 -0.30 0.00 -1.01 0.00 0.00 57.07 56.70 1wj4 s TYR 78 Cb 0.00 0.31 -0.06 0.00 -0.11 0.00 0.00 41.96 42.10 1wj4 s TYR 78 CO 0.00 -1.07 1.16 -1.25 -1.11 0.00 0.00 175.55 173.27 1wj4 s PRO 79 N 2.69 4.48 0.12 -1.71 0.04 -1.26 -3.20 135.00 136.17 1wj4 s PRO 79 Ca 0.11 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.57 1wj4 s PRO 79 Cb -0.09 -3.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 1wj4 s PRO 79 CO -0.23 -0.17 1.57 -0.97 0.04 0.00 0.00 177.00 177.24 1wj4 h ASN 80 N 6.42 -1.49 -1.48 6.66 -1.24 -1.89 1.59 115.58 124.14 1wj4 h ASN 80 Ca -0.42 0.19 0.43 0.00 0.71 0.00 0.00 56.30 57.20 1wj4 h ASN 80 Cb 1.21 0.59 -0.06 0.00 0.73 0.00 0.00 38.32 40.80 1wj4 h ASN 80 CO 0.79 -0.46 1.25 1.05 -1.29 0.00 0.00 177.43 178.77 1wj4 h GLU 81 N -0.55 0.00 0.00 6.67 4.11 -1.98 -2.44 114.58 120.39 1wj4 h GLU 81 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1wj4 h GLU 81 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1wj4 h GLU 81 CO -0.41 0.00 -0.04 0.54 0.07 0.00 0.00 179.01 179.17 1wj4 n ARG 82 N -3.69 0.03 -3.35 1.06 1.74 0.16 -4.36 116.66 108.25 1wj4 n ARG 82 Ca 0.33 0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 57.19 1wj4 n ARG 82 Cb 1.70 -0.60 -0.03 0.00 -1.02 0.00 0.00 32.46 32.51 1wj4 n ARG 82 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wj4 s PHE 83 N -1.09 3.48 0.03 -1.55 0.40 0.49 0.44 117.98 120.18 1wj4 s PHE 83 Ca -0.01 0.64 0.09 0.00 -0.60 0.00 0.00 56.93 57.05 1wj4 s PHE 83 Cb 0.00 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1wj4 s PHE 83 CO 0.02 0.18 -0.26 -1.83 0.70 0.00 0.00 175.22 174.03 1wj4 s GLU 84 N -3.52 1.84 -0.09 0.44 -1.05 0.47 -3.71 118.70 113.08 1wj4 s GLU 84 Ca 0.44 -1.06 -0.16 0.00 -0.15 0.00 0.00 54.97 54.04 1wj4 s GLU 84 Cb -0.11 -1.96 -0.05 0.00 -0.44 0.00 0.00 34.13 31.58 1wj4 s GLU 84 CO 0.30 0.51 0.40 -0.51 0.95 0.00 0.00 175.26 176.91 1wj4 s LEU 85 N -1.10 4.33 0.42 1.83 1.43 -1.26 -0.02 118.68 124.31 1wj4 s LEU 85 Ca 0.11 0.77 0.05 0.00 -1.03 0.00 0.00 54.13 54.03 1wj4 s LEU 85 Cb -0.10 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1wj4 s LEU 85 CO 0.01 0.13 0.03 -0.76 0.23 0.00 0.00 176.35 175.99 1wj4 s LEU 86 N 0.04 2.52 0.00 1.79 1.43 0.23 -0.63 118.68 124.07 1wj4 s LEU 86 Ca 0.23 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 1wj4 s LEU 86 Cb -0.15 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1wj4 s LEU 86 CO 0.09 -0.63 0.00 0.35 0.23 0.00 0.00 176.35 176.39 1wj4 n THR 87 N -0.99 0.00 -0.12 5.49 -2.24 -1.11 0.27 114.28 115.59 1wj4 n THR 87 Ca -0.08 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.45 1wj4 n THR 87 Cb 0.67 -0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 1wj4 n THR 87 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wj4 n ASN 88 N -1.14 1.89 -3.65 3.42 2.85 -1.06 -4.63 115.26 112.94 1wj4 n ASN 88 Ca 0.00 0.40 -0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1wj4 n ASN 88 Cb 0.00 -0.92 -0.07 0.00 1.24 0.00 0.00 39.78 40.03 1wj4 n ASN 88 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1wj4 s PHE 89 N -2.41 -0.05 0.67 1.20 -0.12 -1.26 -4.46 117.98 111.55 1wj4 s PHE 89 Ca -0.32 0.11 -0.12 0.00 -0.05 0.00 0.00 56.93 56.56 1wj4 s PHE 89 Cb 0.09 0.27 -0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1wj4 s PHE 89 CO 0.56 -0.03 1.06 -1.25 -0.05 0.00 0.00 175.22 175.51 1wj4 s PRO 90 N 0.50 3.06 -0.36 1.99 0.04 -1.26 -5.02 135.00 133.94 1wj4 s PRO 90 Ca 0.00 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 1wj4 s PRO 90 Cb -0.04 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1wj4 s PRO 90 CO -0.13 -1.01 2.28 -2.13 0.04 0.00 0.00 177.00 176.05 1wj4 n ARG 91 N -2.84 1.36 -4.42 4.56 0.00 -1.26 -4.75 116.66 109.31 1wj4 n ARG 91 Ca 0.08 0.31 -0.26 0.00 -0.00 0.00 0.00 57.85 57.98 1wj4 n ARG 91 Cb 0.53 -2.93 -0.17 0.00 0.00 0.00 0.00 32.46 29.90 1wj4 n ARG 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1wj4 s ARG 92 N 6.86 1.76 -0.79 -0.14 3.52 -1.26 -4.98 118.95 123.91 1wj4 s ARG 92 Ca 1.05 -0.41 -0.22 0.00 -0.13 0.00 0.00 55.73 56.03 1wj4 s ARG 92 Cb -0.53 -1.53 0.09 0.00 -1.56 0.00 0.00 34.95 31.42 1wj4 s ARG 92 CO 0.39 -0.05 1.09 0.15 -0.81 0.00 0.00 175.30 176.06 1wj4 s LYS 93 N 0.94 3.33 -0.80 5.12 1.02 -1.26 -2.73 119.74 125.35 1wj4 s LYS 93 Ca -0.09 -1.15 -0.23 0.00 0.02 0.00 0.00 55.97 54.53 1wj4 s LYS 93 Cb -0.15 -4.58 -0.18 0.00 -0.52 0.00 0.00 37.83 32.40 1wj4 s LYS 93 CO 0.00 -1.86 2.38 1.28 -0.92 0.00 0.00 175.35 176.23 1wj4 n LEU 94 N 7.53 1.08 0.00 3.17 4.77 0.20 -3.14 117.00 130.61 1wj4 n LEU 94 Ca 0.10 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1wj4 n LEU 94 Cb 0.47 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1wj4 n LEU 94 CO 0.60 -2.12 0.00 -0.24 -1.33 0.00 0.00 177.39 174.30 1wj4 n SER 95 N 15.02 -0.02 -0.39 -1.43 2.88 -1.26 -4.40 113.62 124.01 1wj4 n SER 95 Ca 0.51 0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 58.03 1wj4 n SER 95 Cb 0.36 0.11 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 1wj4 n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wj4 n HIS 96 N -1.76 -0.39 0.00 0.66 1.44 -1.19 -2.46 115.22 111.52 1wj4 n HIS 96 Ca 0.00 1.17 0.00 0.00 -2.01 0.00 0.00 57.72 56.88 1wj4 n HIS 96 Cb 0.00 -0.59 0.00 0.00 0.12 0.00 0.00 29.99 29.52 1wj4 n HIS 96 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1wj4 n LEU 97 N -5.18 0.00 0.00 2.39 -0.00 -1.26 -4.96 117.00 107.98 1wj4 n LEU 97 Ca 0.02 0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1wj4 n LEU 97 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1wj4 n LEU 97 CO -0.15 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.71 1wj4 n ASP 98 N -0.26 0.00 -0.04 1.45 8.00 -1.03 -5.04 116.55 119.62 1wj4 n ASP 98 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1wj4 n ASP 98 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1wj4 n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wj4 n TYR 99 N -0.36 0.00 0.25 1.24 4.01 -1.26 -4.39 117.16 116.65 1wj4 n TYR 99 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 1wj4 n TYR 99 Cb 0.00 -0.46 0.31 0.00 -0.31 0.00 0.00 39.34 38.88 1wj4 n TYR 99 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1wj4 n ASP 100 N -2.29 0.26 -3.08 7.72 2.03 -1.26 -2.37 116.55 117.56 1wj4 n ASP 100 Ca -0.14 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1wj4 n ASP 100 Cb 0.73 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1wj4 n ASP 100 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1wj4 n ILE 101 N -1.82 0.00 -4.37 5.18 -5.35 -1.26 -4.90 119.36 106.83 1wj4 n ILE 101 Ca 0.01 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.23 1wj4 n ILE 101 Cb 0.10 -1.19 -0.12 0.00 -1.74 0.00 0.00 39.64 36.69 1wj4 n ILE 101 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1wj4 s THR 102 N -0.32 2.12 0.56 7.28 -4.23 -1.26 -3.59 115.64 116.20 1wj4 s THR 102 Ca 0.00 -1.85 0.48 0.00 -1.18 0.00 0.00 61.69 59.14 1wj4 s THR 102 Cb 0.00 -1.94 0.71 0.00 1.34 0.00 0.00 72.50 72.61 1wj4 s THR 102 CO 0.00 -0.08 1.55 -0.07 -0.54 0.00 0.00 174.62 175.48 1wj4 h LEU 103 N 3.56 0.00 0.31 4.79 3.38 -0.45 0.91 115.31 127.81 1wj4 h LEU 103 Ca -0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1wj4 h LEU 103 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1wj4 h LEU 103 CO 0.44 0.00 -0.15 -0.61 0.09 0.00 0.00 178.44 178.21 1wj4 h GLN 104 N 0.00 -0.41 -0.48 1.13 4.15 -1.83 0.12 115.11 117.80 1wj4 h GLN 104 Ca 0.89 0.03 0.10 0.00 0.77 0.00 0.00 58.65 60.43 1wj4 h GLN 104 Cb 3.68 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 31.37 1wj4 h GLN 104 CO -0.01 -0.10 -0.20 0.93 -1.93 0.00 0.00 178.83 177.51 1wj4 h GLU 105 N -0.98 -0.10 -0.01 1.69 4.39 0.48 1.27 114.58 121.32 1wj4 h GLU 105 Ca -0.04 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1wj4 h GLU 105 Cb 0.49 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1wj4 h GLU 105 CO 0.07 -0.06 0.21 0.00 -1.16 0.00 0.00 179.01 178.07 1wj4 h ALA 106 N 1.24 1.23 -2.40 3.43 0.00 -1.31 -3.45 119.26 118.00 1wj4 h ALA 106 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1wj4 h ALA 106 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wj4 h ALA 106 CO -0.54 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 178.90 1wj4 n GLY 107 N -1.18 0.68 0.69 0.00 0.00 0.44 -4.95 105.19 100.86 1wj4 n GLY 107 Ca -0.02 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.67 1wj4 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wj4 n LEU 108 N -1.20 1.51 -4.20 0.99 4.77 0.40 -4.97 117.00 114.31 1wj4 n LEU 108 Ca 0.00 -2.51 -0.22 0.00 -0.03 0.00 0.00 56.01 53.26 1wj4 n LEU 108 Cb 0.48 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1wj4 n LEU 108 CO 0.00 0.72 -0.49 0.00 -1.33 0.00 0.00 177.39 176.30 1wj4 h PRO 110 N 4.60 -0.13 -5.28 0.00 0.13 -1.96 -3.47 132.00 125.88 1wj4 h PRO 110 Ca -0.41 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.07 1wj4 h PRO 110 Cb 1.18 0.03 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 1wj4 h PRO 110 CO 0.42 0.36 -0.77 -0.65 -0.23 0.00 0.00 178.00 177.13 1wj4 s GLN 111 N -3.00 3.36 0.05 0.86 -0.21 -1.26 -2.62 119.66 116.85 1wj4 s GLN 111 Ca -0.12 -0.69 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 1wj4 s GLN 111 Cb -0.00 -2.65 -0.02 0.00 1.00 0.00 0.00 33.01 31.34 1wj4 s GLN 111 CO 0.47 0.17 0.07 -2.00 -2.12 0.00 0.00 175.29 171.87 1wj4 s GLU 112 N 0.47 0.63 -0.39 2.91 2.56 -0.62 -4.97 118.70 119.30 1wj4 s GLU 112 Ca -0.09 -0.94 -0.14 0.00 0.00 0.00 0.00 54.97 53.79 1wj4 s GLU 112 Cb -0.16 0.24 0.01 0.00 2.00 0.00 0.00 34.13 36.22 1wj4 s GLU 112 CO 0.04 -0.16 0.29 0.99 -0.56 0.00 0.00 175.26 175.87 1wj4 s THR 113 N -3.24 5.26 -0.36 -1.70 2.01 -1.26 -2.01 115.64 114.34 1wj4 s THR 113 Ca 0.00 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 1wj4 s THR 113 Cb 0.03 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1wj4 s THR 113 CO -0.08 -0.22 0.55 -0.69 -0.69 0.00 0.00 174.62 173.50 1wj4 s VAL 114 N 1.72 4.98 -0.09 3.82 1.01 -0.26 -2.57 120.40 129.02 1wj4 s VAL 114 Ca 0.06 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1wj4 s VAL 114 Cb -0.18 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1wj4 s VAL 114 CO 0.10 -0.28 0.10 -0.36 0.00 0.00 0.00 175.10 174.66 1wj4 s PHE 115 N 2.48 3.45 -0.24 5.22 0.40 0.14 -0.12 117.98 129.32 1wj4 s PHE 115 Ca 0.20 0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 56.79 1wj4 s PHE 115 Cb -0.15 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1wj4 s PHE 115 CO 0.14 0.64 0.26 0.08 0.70 0.00 0.00 175.22 177.04 1wj4 s VAL 116 N -1.05 5.29 0.17 -0.44 1.01 0.34 0.77 120.40 126.49 1wj4 s VAL 116 Ca 0.17 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1wj4 s VAL 116 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1wj4 s VAL 116 CO 0.06 0.28 -0.12 -1.10 0.00 0.00 0.00 175.10 174.23 1wj4 s GLN 117 N 1.35 1.18 -0.04 2.72 -1.52 0.97 -3.77 119.66 120.54 1wj4 s GLN 117 Ca 0.12 -1.50 -0.27 0.00 -1.95 0.00 0.00 55.36 51.76 1wj4 s GLN 117 Cb -0.14 -0.86 -0.03 0.00 -0.22 0.00 0.00 33.01 31.75 1wj4 s GLN 117 CO 0.07 0.13 0.84 -2.00 -0.25 0.00 0.00 175.29 174.08 1wj4 s GLU 118 N -3.63 4.48 -0.03 2.91 2.12 -1.26 0.18 118.70 123.48 1wj4 s GLU 118 Ca 0.19 1.15 -0.02 0.00 0.36 0.00 0.00 54.97 56.64 1wj4 s GLU 118 Cb 0.01 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1wj4 s GLU 118 CO 0.03 -0.03 0.13 0.45 -0.54 0.00 0.00 175.26 175.31 1wj4 s SER 119 N 0.93 6.06 0.00 -1.70 0.15 0.17 -4.69 113.70 114.61 1wj4 s SER 119 Ca 0.44 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1wj4 s SER 119 Cb -0.19 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1wj4 s SER 119 CO 0.22 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1wj4 n GLY 120 N 1.23 -1.12 3.56 9.45 0.00 -1.26 -4.66 105.19 112.39 1wj4 n GLY 120 Ca -0.13 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1wj4 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj4 s PRO 121 N 0.00 3.08 -0.30 1.61 0.04 -1.26 -4.28 135.00 133.89 1wj4 s PRO 121 Ca 0.00 -0.70 -0.04 0.00 0.04 0.00 0.00 61.00 60.29 1wj4 s PRO 121 Cb 0.00 -5.20 0.01 0.00 0.04 0.00 0.00 34.50 29.34 1wj4 s PRO 121 CO 0.00 -2.77 0.14 0.43 0.04 0.00 0.00 177.00 174.83 1wj4 n SER 122 N 11.36 -7.79 0.00 6.66 7.64 -1.26 -3.38 113.62 126.85 1wj4 n SER 122 Ca 0.36 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1wj4 n SER 122 Cb 0.49 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.87 1wj4 n SER 122 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wj4 n SER 123 N 0.56 0.00 0.00 6.43 2.88 -1.26 -5.21 113.62 117.02 1wj4 n SER 123 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1wj4 n SER 123 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42