#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj4 n SER 2 N 0.00 0.00 -3.63 1.61 2.88 -1.26 -5.19 113.62 108.03 1wj4 n SER 2 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1wj4 n SER 2 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wj4 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wj4 s SER 3 N 0.00 -0.03 0.00 -3.46 1.04 -1.26 -5.19 113.70 104.80 1wj4 s SER 3 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1wj4 s SER 3 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1wj4 s SER 3 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1wj4 n GLY 4 N -0.55 6.68 0.00 7.32 0.00 -1.26 -5.17 105.19 112.20 1wj4 n GLY 4 Ca -0.07 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1wj4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj4 n SER 5 N -0.32 0.00 -0.69 1.61 2.88 -1.26 -5.17 113.62 110.67 1wj4 n SER 5 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1wj4 n SER 5 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1wj4 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wj4 n SER 6 N 0.00 -3.73 0.00 -3.46 2.88 -1.26 -5.11 113.62 102.94 1wj4 n SER 6 Ca 0.00 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1wj4 n SER 6 Cb 0.00 -1.83 0.00 0.00 -0.75 0.00 0.00 64.21 61.63 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 -2.22 -0.56 3.18 0.46 0.00 -1.26 -5.15 105.19 99.65 1wj4 n GLY 7 Ca -0.01 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 1wj4 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wj4 n THR 8 N 1.96 0.20 -2.89 2.61 5.66 -1.26 -4.91 114.28 115.64 1wj4 n THR 8 Ca 0.00 -0.48 -0.24 0.00 -3.05 0.00 0.00 64.05 60.27 1wj4 n THR 8 Cb 0.00 -0.09 -0.03 0.00 -1.55 0.00 0.00 70.33 68.66 1wj4 n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wj4 n ALA 9 N -2.01 4.18 -3.12 1.79 0.00 -1.26 -5.00 120.51 115.10 1wj4 n ALA 9 Ca 0.04 -4.31 -0.00 0.00 0.00 0.00 0.00 53.44 49.17 1wj4 n ALA 9 Cb 0.51 -0.75 -0.00 0.00 0.00 0.00 0.00 19.45 19.21 1wj4 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wj4 n THR 10 N -0.18 -2.87 -3.71 0.00 -2.24 -1.26 -4.98 114.28 99.04 1wj4 n THR 10 Ca 0.30 0.57 -0.24 0.00 -2.27 0.00 0.00 64.05 62.40 1wj4 n THR 10 Cb 0.51 -3.30 -0.17 0.00 -2.10 0.00 0.00 70.33 65.27 1wj4 n THR 10 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wj4 s ASN 11 N -0.85 1.96 -0.07 3.42 2.20 -1.26 -5.12 114.94 115.23 1wj4 s ASN 11 Ca -0.01 -0.33 -0.32 0.00 -0.94 0.00 0.00 52.86 51.26 1wj4 s ASN 11 Cb 0.00 -0.38 0.12 0.00 -2.00 0.00 0.00 41.25 38.99 1wj4 s ASN 11 CO 0.08 -0.26 1.17 -1.38 -2.94 0.00 0.00 177.10 173.77 1wj4 s HIS 12 N 2.02 -0.12 0.14 1.54 -3.43 -1.26 -5.19 115.29 108.98 1wj4 s HIS 12 Ca 0.03 0.02 -0.24 0.00 -0.80 0.00 0.00 55.06 54.07 1wj4 s HIS 12 Cb -0.14 0.54 0.07 0.00 -1.43 0.00 0.00 32.58 31.62 1wj4 s HIS 12 CO -0.06 -0.34 0.60 -1.14 -2.00 0.00 0.00 174.74 171.80 1wj4 s GLN 13 N -2.61 1.25 -0.30 -0.38 0.74 -1.26 -5.16 119.66 111.95 1wj4 s GLN 13 Ca 0.11 -0.40 -0.12 0.00 0.05 0.00 0.00 55.36 55.00 1wj4 s GLN 13 Cb 0.01 0.58 0.17 0.00 1.10 0.00 0.00 33.01 34.87 1wj4 s GLN 13 CO -0.04 -0.53 0.94 0.20 -0.55 0.00 0.00 175.29 175.31 1wj4 s GLY 14 N -2.59 -0.41 -0.33 2.59 0.00 -1.26 -5.13 107.32 100.18 1wj4 s GLY 14 Ca -0.00 2.71 -0.16 0.00 0.00 0.00 0.00 44.72 47.27 1wj4 s GLY 14 CO -0.11 3.51 0.39 1.08 0.00 0.00 0.00 173.10 177.97 1wj4 s LEU 15 N 2.75 4.35 0.00 0.66 1.02 -1.26 -5.07 118.68 121.13 1wj4 s LEU 15 Ca 0.02 -0.11 -0.13 0.00 0.02 0.00 0.00 54.13 53.93 1wj4 s LEU 15 Cb -0.10 -2.39 0.19 0.00 0.02 0.00 0.00 46.19 43.91 1wj4 s LEU 15 CO -0.15 -0.33 0.86 -0.81 0.02 0.00 0.00 176.35 175.93 1wj4 n PRO 16 N 5.43 -1.70 -1.39 1.29 -0.04 -1.26 -5.10 135.00 132.23 1wj4 n PRO 16 Ca -0.08 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1wj4 n PRO 16 Cb 0.50 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1wj4 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wj4 n ALA 17 N -3.95 0.00 -3.64 0.55 0.00 -1.26 -5.18 120.51 107.02 1wj4 n ALA 17 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 1wj4 n ALA 17 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 1wj4 n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wj4 s VAL 18 N -2.58 0.00 0.04 0.00 0.11 -1.26 -5.18 120.40 111.53 1wj4 s VAL 18 Ca 0.00 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 1wj4 s VAL 18 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1wj4 s VAL 18 CO 0.00 0.00 0.06 1.51 -3.33 0.00 0.00 175.10 173.34 1wj4 s ASP 19 N 0.92 0.24 0.00 3.54 -4.77 -1.26 -5.16 116.67 110.18 1wj4 s ASP 19 Ca -0.04 -0.62 0.00 0.00 -3.30 0.00 0.00 52.55 48.59 1wj4 s ASP 19 Cb -0.04 0.21 0.00 0.00 -1.09 0.00 0.00 42.92 42.00 1wj4 s ASP 19 CO -0.12 -0.51 0.00 -1.54 0.70 0.00 0.00 175.17 173.70 1wj4 n SER 20 N 0.71 0.00 0.00 2.11 3.41 -1.26 -4.95 113.62 113.64 1wj4 n SER 20 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1wj4 n SER 20 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1wj4 n SER 20 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wj4 n GLU 21 N -0.02 0.00 -1.45 4.33 2.13 -1.26 -5.13 120.64 119.25 1wj4 n GLU 21 Ca 0.00 0.00 -0.52 0.00 0.66 0.00 0.00 57.16 57.30 1wj4 n GLU 21 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1wj4 n GLU 21 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1wj4 n ILE 22 N -2.00 1.25 -3.57 6.31 5.41 -1.26 -4.95 119.36 120.55 1wj4 n ILE 22 Ca 0.00 -0.31 -0.11 0.00 1.00 0.00 0.00 62.75 63.33 1wj4 n ILE 22 Cb 0.00 -0.06 -0.11 0.00 -0.71 0.00 0.00 39.64 38.77 1wj4 n ILE 22 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1wj4 s LEU 23 N 1.80 -0.48 -0.42 1.39 1.43 -1.26 -5.07 118.68 116.06 1wj4 s LEU 23 Ca 0.74 0.58 0.07 0.00 -1.03 0.00 0.00 54.13 54.49 1wj4 s LEU 23 Cb -1.04 1.00 0.23 0.00 0.03 0.00 0.00 46.19 46.41 1wj4 s LEU 23 CO 0.56 -0.26 0.49 -0.62 0.23 0.00 0.00 176.35 176.76 1wj4 n GLU 24 N 5.37 0.75 -1.56 1.70 1.02 -1.26 -5.11 120.64 121.55 1wj4 n GLU 24 Ca -0.06 -3.36 -0.59 0.00 -0.02 0.00 0.00 57.16 53.13 1wj4 n GLU 24 Cb 0.50 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 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 1.74 0.20 -1.96 3.49 0.00 -1.26 -4.90 117.12 114.43 1wj4 n MET 25 Ca 0.24 0.07 -0.32 0.00 0.00 0.00 0.00 57.70 57.69 1wj4 n MET 25 Cb 0.50 -1.60 0.02 0.00 0.00 0.00 0.00 33.22 32.14 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 0.68 3.28 0.68 3.17 0.04 -1.26 -5.06 135.00 136.53 1wj4 s PRO 26 Ca 0.93 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1wj4 s PRO 26 Cb -1.26 -2.03 0.16 0.00 0.04 0.00 0.00 34.50 31.41 1wj4 s PRO 26 CO 0.60 -0.83 0.74 -0.35 0.04 0.00 0.00 177.00 177.20 1wj4 n PRO 27 N -2.27 -1.55 -3.45 0.56 -0.04 -1.26 -5.03 135.00 121.95 1wj4 n PRO 27 Ca 0.08 -1.17 -0.37 0.00 -0.04 0.00 0.00 63.50 62.00 1wj4 n PRO 27 Cb 0.53 -0.92 -0.06 0.00 -0.04 0.00 0.00 33.50 33.01 1wj4 n PRO 27 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wj4 s GLU 28 N -4.65 4.15 -0.03 0.54 -6.30 -1.26 -5.04 118.70 106.11 1wj4 s GLU 28 Ca 0.45 0.32 -0.31 0.00 -2.50 0.00 0.00 54.97 52.94 1wj4 s GLU 28 Cb -0.03 -3.36 0.12 0.00 0.00 0.00 0.00 34.13 30.87 1wj4 s GLU 28 CO 0.33 0.37 1.28 0.15 0.02 0.00 0.00 175.26 177.41 1wj4 s LYS 29 N -0.02 0.39 0.22 4.30 -0.14 -1.26 -5.19 119.74 118.04 1wj4 s LYS 29 Ca 0.22 -0.21 -0.22 0.00 -1.36 0.00 0.00 55.97 54.40 1wj4 s LYS 29 Cb -0.15 0.14 0.07 0.00 -1.68 0.00 0.00 37.83 36.20 1wj4 s LYS 29 CO 0.09 -0.18 0.95 0.00 -0.76 0.00 0.00 175.35 175.45 1wj4 s ALA 30 N -2.43 -1.42 0.00 5.17 0.00 -1.26 -5.15 121.76 116.67 1wj4 s ALA 30 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1wj4 s ALA 30 Cb 0.05 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1wj4 s ALA 30 CO -0.04 -1.04 0.00 -0.25 0.00 0.00 0.00 175.76 174.43 1wj4 n ASP 31 N -0.99 0.00 -3.64 0.00 9.92 -1.26 -5.17 116.55 115.41 1wj4 n ASP 31 Ca -0.05 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.15 1wj4 n ASP 31 Cb 0.60 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.01 1wj4 n ASP 31 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1wj4 s GLY 32 N 0.00 -0.43 0.00 0.44 0.00 -1.26 -5.12 107.32 100.96 1wj4 s GLY 32 Ca 0.00 2.62 0.00 0.00 0.00 0.00 0.00 44.72 47.34 1wj4 s GLY 32 CO 0.00 2.39 0.00 3.33 0.00 0.00 0.00 173.10 178.82 1wj4 n VAL 33 N 3.93 0.00 -3.55 1.40 0.24 -1.26 -5.17 118.33 113.91 1wj4 n VAL 33 Ca -0.19 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 1wj4 n VAL 33 Cb 0.58 -0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 32.61 1wj4 n VAL 33 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wj4 s VAL 34 N 0.63 0.00 -0.02 3.34 0.11 -1.26 -5.10 120.40 118.10 1wj4 s VAL 34 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1wj4 s VAL 34 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1wj4 s VAL 34 CO 0.00 0.00 0.04 1.21 -3.33 0.00 0.00 175.10 173.02 1wj4 n GLU 35 N 0.64 -3.41 -3.23 1.54 2.13 -1.26 -5.02 120.64 112.02 1wj4 n GLU 35 Ca -0.12 2.66 -0.24 0.00 0.66 0.00 0.00 57.16 60.12 1wj4 n GLU 35 Cb 0.58 -3.42 -0.07 0.00 0.27 0.00 0.00 31.44 28.80 1wj4 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wj4 n GLY 36 N 1.21 2.34 3.97 8.31 0.00 -1.26 -5.09 105.19 114.66 1wj4 n GLY 36 Ca -0.06 -1.32 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 1wj4 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wj4 s ILE 37 N -0.55 4.94 0.38 -0.61 -1.09 -1.26 -4.90 121.20 118.12 1wj4 s ILE 37 Ca 0.34 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 57.99 1wj4 s ILE 37 Cb 0.12 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 1wj4 s ILE 37 CO -0.15 -0.35 0.16 1.51 -1.23 0.00 0.00 174.94 174.88 1wj4 s ASP 38 N -4.04 4.50 -0.06 3.58 -4.77 -1.26 -4.92 116.67 109.70 1wj4 s ASP 38 Ca 0.38 -0.97 -0.06 0.00 -3.30 0.00 0.00 52.55 48.61 1wj4 s ASP 38 Cb -0.09 -0.56 -0.02 0.00 -1.09 0.00 0.00 42.92 41.16 1wj4 s ASP 38 CO 0.31 -0.45 -0.11 0.52 0.70 0.00 0.00 175.17 176.15 1wj4 n VAL 39 N -1.20 0.54 0.00 2.11 0.31 -1.26 -5.12 118.33 113.71 1wj4 n VAL 39 Ca -0.02 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1wj4 n VAL 39 Cb 0.63 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1wj4 n VAL 39 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1wj4 n ASN 40 N -3.18 0.00 0.00 4.52 5.15 -1.26 -5.18 115.26 115.31 1wj4 n ASN 40 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1wj4 n ASN 40 Cb 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1wj4 n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wj4 n GLY 41 N -0.06 0.41 3.82 8.20 0.00 -1.26 -5.06 105.19 111.25 1wj4 n GLY 41 Ca 0.00 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 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 0.00 2.87 0.36 1.61 0.04 -1.26 -5.08 135.00 133.54 1wj4 s PRO 42 Ca 0.00 0.93 0.09 0.00 0.04 0.00 0.00 61.00 62.06 1wj4 s PRO 42 Cb 0.00 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1wj4 s PRO 42 CO 0.00 -1.14 -0.06 0.15 0.04 0.00 0.00 177.00 175.99 1wj4 s LYS 43 N -5.05 1.88 -0.14 4.56 1.02 -1.26 -4.37 119.74 116.37 1wj4 s LYS 43 Ca 0.58 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 54.59 1wj4 s LYS 43 Cb -0.14 -1.70 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1wj4 s LYS 43 CO 0.55 0.08 -0.14 0.00 -0.92 0.00 0.00 175.35 174.92 1wj4 s ALA 44 N -2.64 2.57 -0.16 5.17 0.00 0.57 -4.88 121.76 122.39 1wj4 s ALA 44 Ca 0.33 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 1wj4 s ALA 44 Cb 0.05 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1wj4 s ALA 44 CO 0.17 0.18 0.53 -0.65 0.00 0.00 0.00 175.76 175.99 1wj4 s GLN 45 N 0.47 4.26 -0.01 0.00 -0.21 -1.00 -0.15 119.66 123.03 1wj4 s GLN 45 Ca -0.10 0.48 0.06 0.00 0.02 0.00 0.00 55.36 55.83 1wj4 s GLN 45 Cb -0.16 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.32 1wj4 s GLN 45 CO 0.05 -0.04 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.47 1wj4 s LEU 46 N 1.25 2.06 -0.58 2.90 2.01 0.52 -1.04 118.68 125.80 1wj4 s LEU 46 Ca 0.26 -0.39 -0.06 0.00 0.01 0.00 0.00 54.13 53.95 1wj4 s LEU 46 Cb -0.15 -1.03 0.15 0.00 0.01 0.00 0.00 46.19 45.16 1wj4 s LEU 46 CO 0.10 0.24 0.42 -0.32 1.01 0.00 0.00 176.35 177.80 1wj4 s MET 47 N -0.58 2.59 -0.20 1.70 -2.45 -0.85 0.62 119.30 120.13 1wj4 s MET 47 Ca 0.08 -2.22 -0.29 0.00 -1.25 0.00 0.00 55.69 52.01 1wj4 s MET 47 Cb -0.08 -3.85 -0.02 0.00 1.25 0.00 0.00 34.83 32.13 1wj4 s MET 47 CO -0.00 -1.18 1.51 -0.51 1.05 0.00 0.00 175.02 175.89 1wj4 s LEU 48 N 0.51 4.01 -0.57 4.11 2.01 0.48 -2.16 118.68 127.07 1wj4 s LEU 48 Ca 0.13 1.65 -0.04 0.00 0.01 0.00 0.00 54.13 55.88 1wj4 s LEU 48 Cb -0.21 -3.53 0.15 0.00 0.01 0.00 0.00 46.19 42.61 1wj4 s LEU 48 CO -0.04 -1.09 0.40 -0.13 1.01 0.00 0.00 176.35 176.50 1wj4 s ARG 49 N 4.29 2.49 0.33 1.70 1.81 -0.43 0.11 118.95 129.24 1wj4 s ARG 49 Ca 0.66 -2.28 -0.29 0.00 -1.72 0.00 0.00 55.73 52.11 1wj4 s ARG 49 Cb -0.24 -3.76 -0.10 0.00 -0.45 0.00 0.00 34.95 30.40 1wj4 s ARG 49 CO 0.26 -1.16 1.28 0.71 -0.68 0.00 0.00 175.30 175.70 1wj4 s TYR 50 N 0.38 3.10 -0.32 -0.53 2.02 0.35 -1.86 117.35 120.50 1wj4 s TYR 50 Ca 0.14 1.45 -0.05 0.00 -0.37 0.00 0.00 57.07 58.24 1wj4 s TYR 50 Cb -0.21 -3.62 -0.17 0.00 -0.40 0.00 0.00 41.96 37.56 1wj4 s TYR 50 CO -0.04 -1.69 2.75 -0.35 -1.57 0.00 0.00 175.55 174.65 1wj4 n PRO 51 N 0.79 1.83 -0.32 -1.71 -0.04 -1.19 -2.97 135.00 131.40 1wj4 n PRO 51 Ca 0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 1wj4 n PRO 51 Cb 0.42 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1wj4 n PRO 51 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wj4 n ASP 52 N 2.97 0.00 0.00 3.54 9.92 -1.26 -4.97 116.55 126.75 1wj4 n ASP 52 Ca 0.39 -1.49 0.00 0.00 -0.53 0.00 0.00 54.79 53.17 1wj4 n ASP 52 Cb 0.55 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wj4 n GLY 53 N 0.00 0.80 3.59 0.44 0.00 -1.16 -5.01 105.19 103.85 1wj4 n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.05 2.53 0.43 1.61 1.02 -1.23 -5.03 119.74 119.01 1wj4 s LYS 54 Ca 0.00 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.29 1wj4 s LYS 54 Cb 0.00 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1wj4 s LYS 54 CO 0.00 0.60 0.13 1.03 -0.92 0.00 0.00 175.35 176.19 1wj4 s ARG 55 N -1.40 2.00 -0.30 1.68 0.52 -1.26 -0.49 118.95 119.70 1wj4 s ARG 55 Ca 0.17 -2.23 -0.16 0.00 -0.52 0.00 0.00 55.73 52.98 1wj4 s ARG 55 Cb -0.11 -0.66 0.18 0.00 0.52 0.00 0.00 34.95 34.88 1wj4 s ARG 55 CO 0.07 -0.51 1.13 -2.00 0.02 0.00 0.00 175.30 174.01 1wj4 s GLU 56 N -3.69 0.19 -0.23 3.54 2.12 0.29 -4.90 118.70 116.03 1wj4 s GLU 56 Ca 0.21 0.38 -0.10 0.00 0.36 0.00 0.00 54.97 55.81 1wj4 s GLU 56 Cb 0.02 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.47 1wj4 s GLU 56 CO 0.14 -0.05 0.16 -1.14 -0.54 0.00 0.00 175.26 173.82 1wj4 s GLN 57 N 1.55 4.11 0.43 4.30 0.74 -1.26 0.18 119.66 129.71 1wj4 s GLN 57 Ca -0.06 -0.25 0.05 0.00 0.05 0.00 0.00 55.36 55.15 1wj4 s GLN 57 Cb -0.03 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 1wj4 s GLN 57 CO -0.14 0.13 0.02 0.96 -0.55 0.00 0.00 175.29 175.71 1wj4 s ILE 58 N 0.86 1.58 -0.24 -2.34 -4.36 0.20 -4.96 121.20 111.94 1wj4 s ILE 58 Ca 0.08 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1wj4 s ILE 58 Cb -0.13 -2.67 0.08 0.00 1.25 0.00 0.00 42.46 40.99 1wj4 s ILE 58 CO 0.03 0.00 0.07 -0.89 0.24 0.00 0.00 174.94 174.39 1wj4 s THR 59 N -2.85 0.51 0.29 8.37 2.01 -1.26 -0.36 115.64 122.37 1wj4 s THR 59 Ca 0.25 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.52 1wj4 s THR 59 Cb 0.07 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1wj4 s THR 59 CO 0.13 -0.42 0.07 -0.76 -0.69 0.00 0.00 174.62 172.94 1wj4 s LEU 60 N 1.83 3.28 0.61 4.42 1.43 0.79 -4.83 118.68 126.21 1wj4 s LEU 60 Ca 0.04 -0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 1wj4 s LEU 60 Cb -0.17 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1wj4 s LEU 60 CO -0.17 -0.11 1.05 -2.16 0.23 0.00 0.00 176.35 175.19 1wj4 s PRO 61 N -3.75 3.30 0.38 1.29 0.04 -1.26 0.21 135.00 135.21 1wj4 s PRO 61 Ca 0.34 1.13 0.16 0.00 0.04 0.00 0.00 61.00 62.67 1wj4 s PRO 61 Cb -0.05 -2.03 0.75 0.00 0.04 0.00 0.00 34.50 33.20 1wj4 s PRO 61 CO 0.21 -0.82 1.79 0.93 0.04 0.00 0.00 177.00 179.16 1wj4 h GLU 62 N 0.24 0.00 0.00 4.56 5.08 -1.90 -2.24 114.58 120.32 1wj4 h GLU 62 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1wj4 h GLU 62 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wj4 h GLU 62 CO 0.58 0.38 -0.32 -0.56 -1.00 0.00 0.00 179.01 178.09 1wj4 h GLN 63 N 0.00 0.00 -6.76 2.33 3.07 -1.93 -1.31 115.11 110.52 1wj4 h GLN 63 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 1wj4 h GLN 63 Cb 0.76 0.00 0.09 0.00 0.08 0.00 0.00 27.48 28.41 1wj4 h GLN 63 CO 0.05 0.00 0.76 0.00 0.09 0.00 0.00 178.83 179.73 1wj4 n ALA 64 N -1.94 2.05 -1.89 0.06 0.00 -0.84 -4.61 120.51 113.35 1wj4 n ALA 64 Ca 0.04 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1wj4 n ALA 64 Cb 0.48 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 1wj4 n ALA 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wj4 s LYS 65 N -0.86 4.37 0.51 0.00 -0.14 -1.26 -0.98 119.74 121.39 1wj4 s LYS 65 Ca 0.62 2.14 0.38 0.00 -1.36 0.00 0.00 55.97 57.75 1wj4 s LYS 65 Cb -0.54 -3.14 1.54 0.00 -1.68 0.00 0.00 37.83 34.02 1wj4 s LYS 65 CO 0.52 -0.23 1.70 1.25 -0.76 0.00 0.00 175.35 177.84 1wj4 h LEU 66 N 4.55 0.09 -1.00 3.17 5.85 -1.56 1.88 115.31 128.29 1wj4 h LEU 66 Ca -0.46 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.33 1wj4 h LEU 66 Cb 1.22 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 1wj4 h LEU 66 CO 0.73 -0.02 0.65 0.25 -0.34 0.00 0.00 178.44 179.71 1wj4 h LEU 67 N 0.06 1.08 -0.76 2.25 6.46 -1.86 -1.36 115.31 121.17 1wj4 h LEU 67 Ca 0.72 -0.00 0.17 0.00 -0.12 0.00 0.00 57.88 58.65 1wj4 h LEU 67 Cb 2.69 -0.24 -0.13 0.00 -0.73 0.00 0.00 40.66 42.25 1wj4 h LEU 67 CO -0.11 0.72 0.03 0.00 -0.62 0.00 0.00 178.44 178.46 1wj4 h ALA 68 N 1.42 0.81 -0.25 1.25 0.00 0.27 2.07 119.26 124.84 1wj4 h ALA 68 Ca 0.41 0.23 -0.12 0.00 0.00 0.00 0.00 54.91 55.44 1wj4 h ALA 68 Cb 0.06 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wj4 h ALA 68 CO -0.14 -0.42 -0.34 1.25 0.00 0.00 0.00 179.25 179.60 1wj4 h LEU 69 N 0.12 0.55 -0.42 0.00 7.12 -1.34 -2.16 115.31 119.18 1wj4 h LEU 69 Ca 0.42 -0.22 -0.09 0.00 0.13 0.00 0.00 57.88 58.12 1wj4 h LEU 69 Cb 0.74 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 1wj4 h LEU 69 CO -0.65 0.85 -0.08 0.58 -0.13 0.00 0.00 178.44 179.01 1wj4 h VAL 70 N 0.45 1.27 -0.13 1.05 2.07 0.15 -2.37 116.25 118.74 1wj4 h VAL 70 Ca 0.05 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1wj4 h VAL 70 Cb 0.80 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1wj4 h VAL 70 CO 0.07 0.39 0.04 0.11 0.02 0.00 0.00 177.57 178.20 1wj4 h LYS 71 N 0.61 0.18 0.11 1.57 1.57 0.31 -0.56 116.57 120.36 1wj4 h LYS 71 Ca 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1wj4 h LYS 71 Cb 0.60 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1wj4 h LYS 71 CO 0.04 0.17 -0.05 1.25 -0.57 0.00 0.00 179.45 180.28 1wj4 h HIS 72 N 0.19 -0.14 -0.36 -1.35 2.76 -0.88 0.94 115.15 116.31 1wj4 h HIS 72 Ca 0.05 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.32 1wj4 h HIS 72 Cb 0.06 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1wj4 h HIS 72 CO 0.00 -0.08 0.48 0.28 -1.30 0.00 0.00 177.93 177.30 1wj4 h VAL 73 N -0.16 0.27 0.39 5.26 2.07 -1.37 -1.28 116.25 121.43 1wj4 h VAL 73 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1wj4 h VAL 73 Cb 0.11 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1wj4 h VAL 73 CO 0.02 0.00 -0.19 -0.61 0.02 0.00 0.00 177.57 176.82 1wj4 h GLN 74 N 0.00 -0.51 -0.10 1.57 4.15 -0.68 -2.65 115.11 116.90 1wj4 h GLN 74 Ca 0.17 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.65 1wj4 h GLN 74 Cb 1.12 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 1wj4 h GLN 74 CO -0.00 -0.34 0.42 1.03 -1.93 0.00 0.00 178.83 178.01 1wj4 h SER 75 N -0.80 0.00 -0.27 -0.69 0.87 0.28 0.67 113.55 113.62 1wj4 h SER 75 Ca -0.05 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1wj4 h SER 75 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1wj4 h SER 75 CO 0.09 0.00 -0.51 0.11 -0.53 0.00 0.00 176.83 175.99 1wj4 h LYS 76 N 0.00 0.81 0.00 2.24 1.79 -1.17 -3.47 116.57 116.78 1wj4 h LYS 76 Ca 0.05 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1wj4 h LYS 76 Cb 0.88 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1wj4 h LYS 76 CO -0.00 1.15 0.00 0.41 -1.08 0.00 0.00 179.45 179.93 1wj4 n GLY 77 N 0.38 -0.06 3.13 3.86 0.00 0.23 -5.11 105.19 107.63 1wj4 n GLY 77 Ca -0.05 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.51 0.06 1.61 1.51 -0.95 -4.99 117.35 113.08 1wj4 s TYR 78 Ca 0.00 0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 56.33 1wj4 s TYR 78 Cb 0.00 0.27 -0.05 0.00 -0.11 0.00 0.00 41.96 42.06 1wj4 s TYR 78 CO 0.00 -0.94 1.16 -1.25 -1.11 0.00 0.00 175.55 173.41 1wj4 s PRO 79 N 2.39 4.46 0.15 -1.71 0.04 -1.26 -3.59 135.00 135.48 1wj4 s PRO 79 Ca 0.15 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1wj4 s PRO 79 Cb -0.05 -3.36 -0.07 0.00 0.04 0.00 0.00 34.50 31.05 1wj4 s PRO 79 CO -0.17 -0.21 1.52 -0.97 0.04 0.00 0.00 177.00 177.21 1wj4 h ASN 80 N 6.72 -2.05 -1.52 6.66 -1.24 -1.90 1.74 115.58 123.98 1wj4 h ASN 80 Ca -0.42 0.31 0.48 0.00 0.71 0.00 0.00 56.30 57.38 1wj4 h ASN 80 Cb 1.21 0.90 -0.10 0.00 0.73 0.00 0.00 38.32 41.06 1wj4 h ASN 80 CO 0.80 -0.25 1.04 -1.84 -1.29 0.00 0.00 177.43 175.89 1wj4 n GLU 81 N -5.20 -0.02 0.00 6.67 0.28 -1.26 -2.65 120.64 118.46 1wj4 n GLU 81 Ca 0.01 1.08 0.00 0.00 -0.16 0.00 0.00 57.16 58.10 1wj4 n GLU 81 Cb 0.27 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 30.84 1wj4 n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wj4 n ARG 82 N -4.20 0.00 -3.06 3.44 1.74 0.54 -4.31 116.66 110.82 1wj4 n ARG 82 Ca 0.39 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 57.17 1wj4 n ARG 82 Cb 1.64 -0.18 -0.05 0.00 -1.02 0.00 0.00 32.46 32.85 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 -0.10 3.41 0.16 -1.55 0.40 0.17 0.12 117.98 120.58 1wj4 s PHE 83 Ca 0.00 1.13 0.08 0.00 -0.60 0.00 0.00 56.93 57.55 1wj4 s PHE 83 Cb 0.00 -2.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 1wj4 s PHE 83 CO 0.00 0.03 -0.18 -1.83 0.70 0.00 0.00 175.22 173.94 1wj4 s GLU 84 N -3.28 1.24 -0.17 0.44 -1.05 0.52 -3.50 118.70 112.91 1wj4 s GLU 84 Ca 0.53 -1.38 -0.08 0.00 -0.15 0.00 0.00 54.97 53.88 1wj4 s GLU 84 Cb -0.10 -1.29 -0.04 0.00 -0.44 0.00 0.00 34.13 32.26 1wj4 s GLU 84 CO 0.23 0.26 0.10 -0.51 0.95 0.00 0.00 175.26 176.29 1wj4 s LEU 85 N -2.62 4.08 0.46 1.83 1.43 -1.26 0.89 118.68 123.49 1wj4 s LEU 85 Ca 0.15 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 1wj4 s LEU 85 Cb -0.06 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1wj4 s LEU 85 CO 0.06 0.24 0.13 -0.76 0.23 0.00 0.00 176.35 176.25 1wj4 s LEU 86 N -0.01 2.77 0.50 1.79 1.43 0.81 -0.64 118.68 125.33 1wj4 s LEU 86 Ca 0.08 -1.33 0.03 0.00 -1.03 0.00 0.00 54.13 51.88 1wj4 s LEU 86 Cb -0.12 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 1wj4 s LEU 86 CO 0.00 -0.70 0.13 0.42 0.23 0.00 0.00 176.35 176.43 1wj4 s THR 87 N -2.73 1.49 0.48 5.49 -4.23 0.17 0.13 115.64 116.44 1wj4 s THR 87 Ca 0.29 -1.83 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1wj4 s THR 87 Cb 0.04 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 1wj4 s THR 87 CO 0.16 0.00 0.76 0.21 -0.54 0.00 0.00 174.62 175.21 1wj4 s ASN 88 N -3.97 6.06 -0.21 3.99 3.84 -1.19 -4.09 114.94 119.37 1wj4 s ASN 88 Ca 0.20 0.73 -0.31 0.00 0.21 0.00 0.00 52.86 53.68 1wj4 s ASN 88 Cb 0.02 -2.00 -0.14 0.00 -0.55 0.00 0.00 41.25 38.57 1wj4 s ASN 88 CO 0.11 -0.66 0.97 2.22 -2.79 0.00 0.00 177.10 176.95 1wj4 n PHE 89 N -2.24 0.91 -1.72 0.43 1.16 -1.26 -4.07 117.46 110.67 1wj4 n PHE 89 Ca 0.01 0.78 -0.31 0.00 -1.87 0.00 0.00 57.45 56.05 1wj4 n PHE 89 Cb 0.56 -1.51 0.04 0.00 -1.61 0.00 0.00 39.48 36.95 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1wj4 s PRO 90 N 1.24 3.07 -0.14 3.97 0.04 -1.26 -5.07 135.00 136.86 1wj4 s PRO 90 Ca 0.69 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1wj4 s PRO 90 Cb -0.98 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 1wj4 s PRO 90 CO 0.50 -1.00 1.67 0.50 0.04 0.00 0.00 177.00 178.71 1wj4 s ARG 91 N -4.77 3.95 -0.02 4.56 3.00 -1.26 -4.78 118.95 119.63 1wj4 s ARG 91 Ca 0.59 1.95 0.01 0.00 -1.00 0.00 0.00 55.73 57.29 1wj4 s ARG 91 Cb -0.14 -4.03 0.01 0.00 0.00 0.00 0.00 34.95 30.78 1wj4 s ARG 91 CO 0.50 -1.11 -0.04 1.03 0.00 0.00 0.00 175.30 175.67 1wj4 s ARG 92 N 4.45 0.55 -0.42 5.12 0.52 -1.26 -4.97 118.95 122.94 1wj4 s ARG 92 Ca 0.74 -0.13 -0.19 0.00 -0.52 0.00 0.00 55.73 55.62 1wj4 s ARG 92 Cb -0.30 -0.57 0.02 0.00 0.52 0.00 0.00 34.95 34.63 1wj4 s ARG 92 CO 0.30 0.02 0.56 0.15 0.02 0.00 0.00 175.30 176.36 1wj4 s LYS 93 N 0.35 3.27 -0.90 3.54 1.02 -1.26 0.42 119.74 126.18 1wj4 s LYS 93 Ca -0.04 -0.46 -0.25 0.00 0.02 0.00 0.00 55.97 55.25 1wj4 s LYS 93 Cb -0.08 -3.94 -0.06 0.00 -0.52 0.00 0.00 37.83 33.24 1wj4 s LYS 93 CO -0.00 -0.91 2.00 -0.51 -0.92 0.00 0.00 175.35 175.01 1wj4 s LEU 94 N 2.56 3.12 0.13 3.17 1.43 0.19 -3.44 118.68 125.83 1wj4 s LEU 94 Ca 0.19 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1wj4 s LEU 94 Cb -0.15 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1wj4 s LEU 94 CO 0.17 -2.91 0.00 -0.24 0.23 0.00 0.00 176.35 173.59 1wj4 n SER 95 N 14.61 -1.17 -0.40 2.29 2.88 -1.26 -4.52 113.62 126.05 1wj4 n SER 95 Ca 0.41 0.61 -0.06 0.00 -1.33 0.00 0.00 58.87 58.51 1wj4 n SER 95 Cb 0.46 1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 65.34 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 -3.12 -0.21 0.00 0.66 1.44 -1.22 -2.21 115.22 110.55 1wj4 n HIS 96 Ca 0.00 1.22 0.00 0.00 -2.01 0.00 0.00 57.72 56.93 1wj4 n HIS 96 Cb 0.00 -0.72 0.00 0.00 0.12 0.00 0.00 29.99 29.39 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 -5.33 0.00 0.00 2.39 -0.00 -1.26 -4.98 117.00 107.81 1wj4 n LEU 97 Ca 0.06 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1wj4 n LEU 97 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 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 -0.67 0.00 -1.10 1.45 9.92 -0.94 -5.00 116.55 120.21 1wj4 n ASP 98 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1wj4 n ASP 98 Cb 0.00 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 40.69 1wj4 n ASP 98 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1wj4 n TYR 99 N -0.80 0.41 0.78 1.24 4.01 -1.26 -3.96 117.16 117.58 1wj4 n TYR 99 Ca 0.00 -0.21 0.12 0.00 -0.16 0.00 0.00 57.90 57.65 1wj4 n TYR 99 Cb 0.00 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.19 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 1.41 0.60 -2.29 7.72 -0.08 -1.26 -3.09 116.55 119.56 1wj4 n ASP 100 Ca 0.19 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1wj4 n ASP 100 Cb 0.59 0.38 0.00 0.00 2.34 0.00 0.00 41.12 44.43 1wj4 n ASP 100 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wj4 n ILE 101 N -1.78 0.00 -4.22 5.18 -5.35 -1.25 -4.88 119.36 107.06 1wj4 n ILE 101 Ca 0.04 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.23 1wj4 n ILE 101 Cb 0.39 -1.45 -0.09 0.00 -1.74 0.00 0.00 39.64 36.74 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 -0.98 3.51 0.58 7.28 -4.23 -1.26 -3.18 115.64 117.35 1wj4 s THR 102 Ca 0.00 -1.32 0.42 0.00 -1.18 0.00 0.00 61.69 59.61 1wj4 s THR 102 Cb 0.00 -2.69 0.62 0.00 1.34 0.00 0.00 72.50 71.77 1wj4 s THR 102 CO 0.00 0.03 1.49 -0.07 -0.54 0.00 0.00 174.62 175.54 1wj4 h LEU 103 N 3.29 0.00 0.12 4.79 3.38 0.15 1.24 115.31 128.28 1wj4 h LEU 103 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1wj4 h LEU 103 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1wj4 h LEU 103 CO 0.55 0.00 -0.06 -0.61 0.09 0.00 0.00 178.44 178.41 1wj4 h GLN 104 N 0.00 -0.15 -0.48 1.13 4.15 -1.83 -0.56 115.11 117.37 1wj4 h GLN 104 Ca 0.78 0.01 0.10 0.00 0.77 0.00 0.00 58.65 60.30 1wj4 h GLN 104 Cb 3.44 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 31.07 1wj4 h GLN 104 CO -0.01 0.34 -0.21 0.93 -1.93 0.00 0.00 178.83 177.95 1wj4 h GLU 105 N -0.82 -0.10 -0.05 1.69 5.08 0.12 1.24 114.58 121.73 1wj4 h GLU 105 Ca -0.02 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1wj4 h GLU 105 Cb 0.56 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1wj4 h GLU 105 CO 0.03 -0.07 0.24 0.00 -1.00 0.00 0.00 179.01 178.21 1wj4 h ALA 106 N 1.22 1.36 -0.58 3.43 0.00 -1.41 -3.45 119.26 119.83 1wj4 h ALA 106 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wj4 h ALA 106 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1wj4 h ALA 106 CO -0.55 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 178.85 1wj4 n GLY 107 N -1.23 0.76 0.07 0.00 0.00 0.43 -4.96 105.19 100.26 1wj4 n GLY 107 Ca -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.29 0.09 -4.78 0.99 4.77 -0.24 -4.94 117.00 112.60 1wj4 n LEU 108 Ca 0.00 0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.66 1wj4 n LEU 108 Cb 0.48 0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 1wj4 n LEU 108 CO 0.00 0.30 0.79 0.00 -1.33 0.00 0.00 177.39 177.15 1wj4 h PRO 110 N 1.88 0.65 -4.70 0.00 0.13 -1.94 -3.47 132.00 124.55 1wj4 h PRO 110 Ca -0.49 -0.64 -0.39 0.00 -0.87 0.00 0.00 66.00 63.61 1wj4 h PRO 110 Cb 1.24 0.17 -0.29 0.00 0.13 0.00 0.00 31.00 32.25 1wj4 h PRO 110 CO 0.60 1.24 -0.78 1.14 -0.23 0.00 0.00 178.00 179.97 1wj4 s GLN 111 N -3.44 0.71 0.19 0.86 -2.07 -0.83 -2.36 119.66 112.71 1wj4 s GLN 111 Ca -0.11 -0.31 -0.06 0.00 -1.82 0.00 0.00 55.36 53.06 1wj4 s GLN 111 Cb 0.06 -0.68 -0.02 0.00 -1.09 0.00 0.00 33.01 31.28 1wj4 s GLN 111 CO 0.89 0.19 0.24 -2.00 -1.32 0.00 0.00 175.29 173.29 1wj4 s GLU 112 N -0.21 1.24 -0.39 9.60 2.56 -0.20 -4.94 118.70 126.36 1wj4 s GLU 112 Ca 0.03 -1.41 -0.05 0.00 0.00 0.00 0.00 54.97 53.54 1wj4 s GLU 112 Cb -0.03 0.34 0.09 0.00 2.00 0.00 0.00 34.13 36.52 1wj4 s GLU 112 CO -0.00 -0.44 0.19 0.99 -0.56 0.00 0.00 175.26 175.43 1wj4 s THR 113 N -4.07 3.61 0.05 -1.70 2.01 -1.26 -2.00 115.64 112.28 1wj4 s THR 113 Ca 0.28 -1.67 -0.23 0.00 0.31 0.00 0.00 61.69 60.38 1wj4 s THR 113 Cb 0.04 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 1wj4 s THR 113 CO 0.07 -0.51 0.71 -0.69 -0.69 0.00 0.00 174.62 173.51 1wj4 s VAL 114 N 1.28 4.74 -0.14 3.82 1.01 -0.92 -3.17 120.40 127.02 1wj4 s VAL 114 Ca 0.04 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1wj4 s VAL 114 Cb -0.22 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1wj4 s VAL 114 CO -0.01 0.41 -0.19 -0.36 0.00 0.00 0.00 175.10 174.95 1wj4 s PHE 115 N -0.28 2.44 -0.13 5.22 0.08 0.12 -1.32 117.98 124.12 1wj4 s PHE 115 Ca 0.36 -1.25 -0.17 0.00 0.12 0.00 0.00 56.93 55.98 1wj4 s PHE 115 Cb -0.20 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 1wj4 s PHE 115 CO 0.22 -0.60 0.45 0.54 -0.10 0.00 0.00 175.22 175.72 1wj4 s VAL 116 N 0.98 5.21 0.13 -0.44 0.11 -0.78 0.28 120.40 125.89 1wj4 s VAL 116 Ca -0.05 0.89 -0.02 0.00 -2.93 0.00 0.00 61.98 59.87 1wj4 s VAL 116 Cb -0.15 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 1wj4 s VAL 116 CO -0.04 0.34 0.08 0.00 -3.33 0.00 0.00 175.10 172.15 1wj4 s GLN 117 N 0.60 0.93 0.00 1.54 -2.07 0.26 -3.16 119.66 117.76 1wj4 s GLN 117 Ca 0.24 -1.38 -0.30 0.00 -1.82 0.00 0.00 55.36 52.11 1wj4 s GLN 117 Cb -0.15 0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 31.98 1wj4 s GLN 117 CO 0.09 -0.27 1.44 -1.21 -1.32 0.00 0.00 175.29 174.02 1wj4 s GLU 118 N -4.02 4.27 0.40 9.60 2.02 -1.26 0.20 118.70 129.90 1wj4 s GLU 118 Ca 0.21 2.01 0.07 0.00 0.02 0.00 0.00 54.97 57.29 1wj4 s GLU 118 Cb 0.07 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.71 1wj4 s GLU 118 CO 0.00 -0.60 0.55 0.45 0.02 0.00 0.00 175.26 175.67 1wj4 s SER 119 N 1.98 5.75 0.00 -0.19 0.15 0.32 -4.75 113.70 116.96 1wj4 s SER 119 Ca 0.65 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1wj4 s SER 119 Cb -0.32 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1wj4 s SER 119 CO 0.27 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1wj4 n GLY 120 N -1.80 -2.92 0.08 9.45 0.00 -1.26 -4.76 105.19 103.97 1wj4 n GLY 120 Ca 0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1wj4 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj4 h PRO 121 N 0.00 0.08 -6.37 1.61 0.13 -1.92 -3.43 132.00 122.10 1wj4 h PRO 121 Ca 0.00 -0.08 -0.18 0.00 -0.87 0.00 0.00 66.00 64.87 1wj4 h PRO 121 Cb 0.00 0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.16 1wj4 h PRO 121 CO 0.00 0.81 -1.08 0.45 -0.23 0.00 0.00 178.00 177.95 1wj4 n SER 122 N -4.64 -6.18 0.14 1.44 2.88 -1.26 -4.73 113.62 101.27 1wj4 n SER 122 Ca -0.09 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1wj4 n SER 122 Cb 0.42 -1.91 0.00 0.00 -0.75 0.00 0.00 64.21 61.97 1wj4 n SER 122 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wj4 n SER 123 N 0.53 -0.52 0.00 -3.46 2.88 -1.26 -4.78 113.62 107.01 1wj4 n SER 123 Ca -0.04 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1wj4 n SER 123 Cb 0.56 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.71 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42