#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 -2.30 -4.95 1.61 2.88 -1.26 -5.14 113.62 104.46 1wj4 n SER 2 Ca 0.00 -3.62 -0.23 0.00 -1.33 0.00 0.00 58.87 53.69 1wj4 n SER 2 Cb 0.00 1.81 -0.01 0.00 -0.75 0.00 0.00 64.21 65.26 1wj4 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wj4 s SER 3 N -1.38 6.23 0.07 -3.46 0.01 -1.26 -5.10 113.70 108.81 1wj4 s SER 3 Ca 0.24 0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.71 1wj4 s SER 3 Cb 0.28 -1.91 0.05 0.00 0.21 0.00 0.00 66.02 64.65 1wj4 s SER 3 CO -0.08 -0.32 0.67 0.61 0.41 0.00 0.00 173.24 174.52 1wj4 n GLY 4 N -1.77 0.71 3.02 3.44 0.00 -1.26 -5.19 105.19 104.13 1wj4 n GLY 4 Ca -0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.90 -0.99 -2.69 1.61 3.41 -1.26 -5.13 113.62 107.67 1wj4 n SER 5 Ca 0.00 -2.85 -0.04 0.00 -0.26 0.00 0.00 58.87 55.73 1wj4 n SER 5 Cb 0.35 1.99 0.03 0.00 -0.26 0.00 0.00 64.21 66.31 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 -1.73 -1.99 -4.91 4.04 2.88 -1.26 -5.17 113.62 105.49 1wj4 n SER 6 Ca 0.03 -1.53 -0.27 0.00 -1.33 0.00 0.00 58.87 55.77 1wj4 n SER 6 Cb 0.54 1.01 0.06 0.00 -0.75 0.00 0.00 64.21 65.08 1wj4 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wj4 s GLY 7 N 0.84 1.64 0.27 0.46 0.00 -1.26 -5.10 107.32 104.16 1wj4 s GLY 7 Ca 0.25 -0.72 -0.07 0.00 0.00 0.00 0.00 44.72 44.19 1wj4 s GLY 7 CO -0.09 -0.33 0.40 -0.51 0.00 0.00 0.00 173.10 172.56 1wj4 s THR 8 N -3.26 0.00 0.00 0.90 -4.23 -1.26 -5.18 115.64 102.61 1wj4 s THR 8 Ca 0.59 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1wj4 s THR 8 Cb -0.11 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1wj4 s THR 8 CO 0.47 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.55 1wj4 n ALA 9 N -0.41 0.00 -3.64 3.99 0.00 -1.26 -5.18 120.51 114.00 1wj4 n ALA 9 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1wj4 n ALA 9 Cb 0.63 0.00 -0.07 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 0.00 0.00 -1.32 -1.26 -5.18 115.64 105.88 1wj4 s THR 10 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1wj4 s THR 10 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1wj4 s THR 10 CO 0.00 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.21 1wj4 n ASN 11 N 2.05 0.00 0.00 8.08 5.15 -1.26 -5.17 115.26 124.11 1wj4 n ASN 11 Ca -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1wj4 n ASN 11 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1wj4 n ASN 11 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1wj4 n HIS 12 N -0.04 0.00 -3.66 1.20 -0.00 -1.26 -5.16 115.22 106.29 1wj4 n HIS 12 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1wj4 n HIS 12 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1wj4 n HIS 12 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1wj4 s GLN 13 N 0.00 0.33 0.00 1.57 -2.07 -1.26 -5.14 119.66 113.09 1wj4 s GLN 13 Ca 0.00 0.99 0.00 0.00 -1.82 0.00 0.00 55.36 54.53 1wj4 s GLN 13 Cb 0.00 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1wj4 s GLN 13 CO 0.00 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.14 1wj4 n GLY 14 N 5.22 -0.59 3.52 2.60 0.00 -1.26 -5.16 105.19 109.51 1wj4 n GLY 14 Ca -0.11 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.37 0.13 0.99 -0.00 -1.26 -5.15 118.68 113.02 1wj4 s LEU 15 Ca 0.00 1.15 -0.30 0.00 -0.00 0.00 0.00 54.13 54.98 1wj4 s LEU 15 Cb 0.00 2.16 -0.07 0.00 -0.00 0.00 0.00 46.19 48.28 1wj4 s LEU 15 CO 0.00 -0.27 1.14 -2.16 -0.00 0.00 0.00 176.35 175.06 1wj4 s PRO 16 N 0.09 4.52 0.03 1.48 0.04 -1.26 -5.04 135.00 134.86 1wj4 s PRO 16 Ca -0.02 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1wj4 s PRO 16 Cb -0.04 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 1wj4 s PRO 16 CO 0.02 -0.07 -0.10 0.00 0.04 0.00 0.00 177.00 176.89 1wj4 s ALA 17 N 0.31 0.79 -0.06 8.56 0.00 -1.26 -5.14 121.76 124.95 1wj4 s ALA 17 Ca 0.53 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1wj4 s ALA 17 Cb -0.29 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1wj4 s ALA 17 CO 0.33 0.12 -0.09 0.08 0.00 0.00 0.00 175.76 176.19 1wj4 s VAL 18 N -0.79 0.93 0.00 0.00 1.01 -1.26 -5.11 120.40 115.17 1wj4 s VAL 18 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1wj4 s VAL 18 Cb -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1wj4 s VAL 18 CO 0.01 0.31 0.00 0.47 0.00 0.00 0.00 175.10 175.89 1wj4 n ASP 19 N 4.02 0.00 -1.36 3.32 8.00 -1.26 -5.17 116.55 124.10 1wj4 n ASP 19 Ca -0.22 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.45 1wj4 n ASP 19 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 1wj4 n ASP 19 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wj4 n SER 20 N 0.00 -7.69 0.20 -2.24 3.41 -1.26 -5.04 113.62 101.00 1wj4 n SER 20 Ca 0.00 1.24 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1wj4 n SER 20 Cb 0.00 -4.59 0.00 0.00 -0.26 0.00 0.00 64.21 59.36 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 -4.21 0.00 -1.74 4.33 2.13 -1.26 -5.12 120.64 114.77 1wj4 n GLU 21 Ca -0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.33 1wj4 n GLU 21 Cb 0.64 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.34 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 -3.36 1.31 -4.84 6.31 5.41 -1.26 -4.99 119.36 117.95 1wj4 n ILE 22 Ca 0.00 -0.33 -0.33 0.00 1.00 0.00 0.00 62.75 63.09 1wj4 n ILE 22 Cb 0.00 -1.88 -0.13 0.00 -0.71 0.00 0.00 39.64 36.92 1wj4 n ILE 22 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 1wj4 s LEU 23 N -0.81 2.81 -0.45 1.39 0.05 -1.26 -5.06 118.68 115.36 1wj4 s LEU 23 Ca 0.61 -0.17 0.06 0.00 0.05 0.00 0.00 54.13 54.68 1wj4 s LEU 23 Cb -0.51 -1.58 0.21 0.00 -2.05 0.00 0.00 46.19 42.26 1wj4 s LEU 23 CO 0.53 0.34 0.61 -0.62 -0.55 0.00 0.00 176.35 176.66 1wj4 n GLU 24 N 2.36 0.54 -3.84 1.48 1.02 -1.26 -5.13 120.64 115.81 1wj4 n GLU 24 Ca -0.17 -2.57 -0.36 0.00 -0.02 0.00 0.00 57.16 54.03 1wj4 n GLU 24 Cb 0.52 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 1wj4 n GLU 24 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1wj4 s MET 25 N 0.10 3.70 0.21 3.49 1.75 -1.26 -5.08 119.30 122.22 1wj4 s MET 25 Ca 0.33 -0.17 -0.30 0.00 -1.25 0.00 0.00 55.69 54.29 1wj4 s MET 25 Cb 0.11 -3.26 -0.08 0.00 2.84 0.00 0.00 34.83 34.43 1wj4 s MET 25 CO -0.15 0.60 1.11 -1.25 -0.65 0.00 0.00 175.02 174.67 1wj4 s PRO 26 N -0.51 4.60 0.75 4.11 0.04 -1.26 -5.04 135.00 137.70 1wj4 s PRO 26 Ca 0.12 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 1wj4 s PRO 26 Cb -0.12 -3.25 0.18 0.00 0.04 0.00 0.00 34.50 31.36 1wj4 s PRO 26 CO 0.02 0.11 0.83 -0.35 0.04 0.00 0.00 177.00 177.65 1wj4 n PRO 27 N 2.01 -1.67 -5.06 0.56 -0.04 -1.26 -5.08 135.00 124.47 1wj4 n PRO 27 Ca 0.02 -1.30 -0.29 0.00 -0.04 0.00 0.00 63.50 61.89 1wj4 n PRO 27 Cb 0.46 -1.03 -0.16 0.00 -0.04 0.00 0.00 33.50 32.73 1wj4 n PRO 27 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1wj4 s GLU 28 N -4.85 2.06 0.46 0.54 -1.05 -1.26 -5.14 118.70 109.46 1wj4 s GLU 28 Ca 0.50 -0.76 0.07 0.00 -0.15 0.00 0.00 54.97 54.63 1wj4 s GLU 28 Cb -0.03 -1.82 -0.00 0.00 -0.44 0.00 0.00 34.13 31.84 1wj4 s GLU 28 CO 0.37 0.35 0.39 0.15 0.95 0.00 0.00 175.26 177.47 1wj4 s LYS 29 N -0.18 2.41 0.22 -4.83 3.01 -1.26 -5.15 119.74 113.97 1wj4 s LYS 29 Ca -0.01 -1.71 -0.18 0.00 -1.01 0.00 0.00 55.97 53.07 1wj4 s LYS 29 Cb -0.12 -2.28 0.02 0.00 -1.01 0.00 0.00 37.83 34.45 1wj4 s LYS 29 CO 0.02 -0.34 0.56 0.00 0.51 0.00 0.00 175.35 176.09 1wj4 s ALA 30 N -2.58 -0.89 0.10 5.17 0.00 -1.26 -5.18 121.76 117.12 1wj4 s ALA 30 Ca 0.45 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.81 1wj4 s ALA 30 Cb -0.02 0.89 0.08 0.00 0.00 0.00 0.00 23.12 24.06 1wj4 s ALA 30 CO 0.26 -0.86 0.84 0.34 0.00 0.00 0.00 175.76 176.34 1wj4 s ASP 31 N -2.90 -0.34 -0.25 0.00 2.15 -1.26 -5.15 116.67 108.92 1wj4 s ASP 31 Ca 0.12 -0.18 -0.02 0.00 0.43 0.00 0.00 52.55 52.90 1wj4 s ASP 31 Cb -0.02 0.49 0.12 0.00 -0.30 0.00 0.00 42.92 43.21 1wj4 s ASP 31 CO 0.01 -0.84 0.29 -0.83 -0.17 0.00 0.00 175.17 173.62 1wj4 s GLY 32 N -2.71 -0.15 -0.58 2.66 0.00 -1.26 -5.09 107.32 100.18 1wj4 s GLY 32 Ca 0.07 0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 1wj4 s GLY 32 CO -0.05 2.49 0.41 -1.34 0.00 0.00 0.00 173.10 174.60 1wj4 s VAL 33 N 2.39 3.75 -0.24 1.40 -7.23 -1.26 -5.04 120.40 114.17 1wj4 s VAL 33 Ca 0.09 -2.70 0.00 0.00 -1.81 0.00 0.00 61.98 57.56 1wj4 s VAL 33 Cb -0.15 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 33.37 1wj4 s VAL 33 CO -0.22 -0.84 -0.10 0.54 -0.31 0.00 0.00 175.10 174.16 1wj4 s VAL 34 N 0.25 2.53 -0.25 1.32 0.11 -1.26 -5.07 120.40 118.03 1wj4 s VAL 34 Ca 0.15 -1.18 -0.29 0.00 -2.93 0.00 0.00 61.98 57.73 1wj4 s VAL 34 Cb -0.21 -2.30 0.17 0.00 -1.53 0.00 0.00 36.38 32.51 1wj4 s VAL 34 CO -0.04 0.20 1.24 -0.70 -3.33 0.00 0.00 175.10 172.48 1wj4 s GLU 35 N 1.26 0.24 -0.59 1.54 2.12 -1.26 -5.11 118.70 116.90 1wj4 s GLU 35 Ca -0.01 0.09 -0.02 0.00 0.36 0.00 0.00 54.97 55.38 1wj4 s GLU 35 Cb -0.17 0.12 0.15 0.00 0.26 0.00 0.00 34.13 34.49 1wj4 s GLU 35 CO -0.06 -0.07 0.40 0.20 -0.54 0.00 0.00 175.26 175.19 1wj4 s GLY 36 N -0.89 2.43 0.01 -1.50 0.00 -1.26 -5.07 107.32 101.04 1wj4 s GLY 36 Ca 0.05 -3.16 -0.19 0.00 0.00 0.00 0.00 44.72 41.42 1wj4 s GLY 36 CO -0.06 1.09 0.54 -0.42 0.00 0.00 0.00 173.10 174.25 1wj4 s ILE 37 N 0.09 4.91 -0.22 0.90 1.01 -1.26 -4.98 121.20 121.65 1wj4 s ILE 37 Ca 0.16 1.12 -0.31 0.00 0.00 0.00 0.00 60.65 61.62 1wj4 s ILE 37 Cb -0.21 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 1wj4 s ILE 37 CO -0.03 0.48 2.16 0.47 0.00 0.00 0.00 174.94 178.02 1wj4 n ASP 38 N 2.37 3.02 -4.49 3.58 8.00 -1.26 -4.85 116.55 122.92 1wj4 n ASP 38 Ca -0.09 0.39 -0.44 0.00 0.71 0.00 0.00 54.79 55.36 1wj4 n ASP 38 Cb 0.51 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1wj4 n ASP 38 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wj4 n VAL 39 N 7.16 4.12 -3.64 2.53 0.31 -1.26 -4.84 118.33 122.71 1wj4 n VAL 39 Ca 0.32 -4.45 -0.02 0.00 -0.01 0.00 0.00 64.34 60.17 1wj4 n VAL 39 Cb 0.37 -2.42 -0.05 0.00 -0.91 0.00 0.00 33.84 30.83 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wj4 s ASN 40 N 3.36 -0.04 0.00 4.52 4.22 -1.26 -5.14 114.94 120.60 1wj4 s ASN 40 Ca 0.47 0.05 0.00 0.00 -2.14 0.00 0.00 52.86 51.25 1wj4 s ASN 40 Cb 0.00 0.04 0.00 0.00 1.28 0.00 0.00 41.25 42.58 1wj4 s ASN 40 CO 0.03 -0.03 0.00 0.61 -2.04 0.00 0.00 177.10 175.67 1wj4 n GLY 41 N 0.69 0.68 0.00 0.45 0.00 -1.26 -4.99 105.19 100.75 1wj4 n GLY 41 Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1wj4 n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wj4 n PRO 42 N 0.00 0.38 -1.17 1.61 -0.04 -1.26 -4.96 135.00 129.56 1wj4 n PRO 42 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1wj4 n PRO 42 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 1wj4 n PRO 42 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wj4 n LYS 43 N -0.52 -2.78 -3.32 0.54 4.81 -1.26 -4.82 118.16 110.81 1wj4 n LYS 43 Ca 0.00 2.26 -0.38 0.00 -0.87 0.00 0.00 58.31 59.32 1wj4 n LYS 43 Cb 0.00 -3.14 -0.06 0.00 0.02 0.00 0.00 35.03 31.85 1wj4 n LYS 43 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wj4 s ALA 44 N -4.25 3.49 -0.11 3.14 0.00 0.62 -4.91 121.76 119.75 1wj4 s ALA 44 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 1wj4 s ALA 44 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1wj4 s ALA 44 CO 0.00 -0.07 0.09 -0.65 0.00 0.00 0.00 175.76 175.13 1wj4 s GLN 45 N 0.79 3.30 0.07 0.00 -0.21 -1.10 0.11 119.66 122.62 1wj4 s GLN 45 Ca 0.25 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.41 1wj4 s GLN 45 Cb -0.15 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 1wj4 s GLN 45 CO 0.10 0.75 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.46 1wj4 s LEU 46 N -0.96 2.48 -0.39 2.90 1.43 -0.17 -1.82 118.68 122.15 1wj4 s LEU 46 Ca 0.14 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 1wj4 s LEU 46 Cb -0.12 0.07 0.11 0.00 0.03 0.00 0.00 46.19 46.29 1wj4 s LEU 46 CO 0.03 -0.52 0.13 -0.32 0.23 0.00 0.00 176.35 175.90 1wj4 s MET 47 N -3.70 1.48 0.06 1.70 -2.45 -1.04 -1.23 119.30 114.11 1wj4 s MET 47 Ca 0.07 -1.97 -0.31 0.00 -1.25 0.00 0.00 55.69 52.24 1wj4 s MET 47 Cb 0.06 -2.97 -0.07 0.00 1.25 0.00 0.00 34.83 33.09 1wj4 s MET 47 CO -0.07 -1.01 1.43 -0.51 1.05 0.00 0.00 175.02 175.91 1wj4 s LEU 48 N 0.64 4.35 -0.28 4.11 1.43 0.55 -0.13 118.68 129.34 1wj4 s LEU 48 Ca 0.13 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.52 1wj4 s LEU 48 Cb -0.21 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.51 1wj4 s LEU 48 CO -0.08 -0.71 -0.01 -0.13 0.23 0.00 0.00 176.35 175.65 1wj4 s ARG 49 N 1.83 1.55 0.55 1.70 1.81 -0.18 0.17 118.95 126.38 1wj4 s ARG 49 Ca 0.66 -1.35 -0.17 0.00 -1.72 0.00 0.00 55.73 53.15 1wj4 s ARG 49 Cb -0.35 -2.75 -0.06 0.00 -0.45 0.00 0.00 34.95 31.34 1wj4 s ARG 49 CO 0.29 -0.76 1.03 0.71 -0.68 0.00 0.00 175.30 175.89 1wj4 s TYR 50 N 1.22 3.15 -0.76 -0.53 2.02 0.44 0.28 117.35 123.17 1wj4 s TYR 50 Ca 0.01 1.51 0.24 0.00 -0.37 0.00 0.00 57.07 58.46 1wj4 s TYR 50 Cb -0.19 -2.94 0.91 0.00 -0.40 0.00 0.00 41.96 39.34 1wj4 s TYR 50 CO -0.09 -0.82 1.73 -0.35 -1.57 0.00 0.00 175.55 174.44 1wj4 n PRO 51 N -1.74 0.14 0.01 -1.71 -0.04 -1.15 -2.47 135.00 128.03 1wj4 n PRO 51 Ca 0.08 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 1wj4 n PRO 51 Cb 0.53 -1.71 0.32 0.00 -0.04 0.00 0.00 33.50 32.61 1wj4 n PRO 51 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wj4 n ASP 52 N -1.96 0.04 0.00 3.54 2.03 -1.26 -4.83 116.55 114.11 1wj4 n ASP 52 Ca 0.04 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1wj4 n ASP 52 Cb 0.30 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wj4 n GLY 53 N 0.01 2.80 3.92 0.27 0.00 -1.03 -5.07 105.19 106.08 1wj4 n GLY 53 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.48 2.92 0.17 1.61 -0.14 -1.25 -4.89 119.74 117.67 1wj4 s LYS 54 Ca 0.00 0.01 0.04 0.00 -1.36 0.00 0.00 55.97 54.65 1wj4 s LYS 54 Cb 0.00 -2.27 -0.01 0.00 -1.68 0.00 0.00 37.83 33.87 1wj4 s LYS 54 CO 0.00 -0.70 0.13 2.89 -0.76 0.00 0.00 175.35 176.91 1wj4 n ARG 55 N -2.59 0.28 -3.57 1.68 1.85 -1.26 -0.42 116.66 112.63 1wj4 n ARG 55 Ca 0.05 -1.66 0.01 0.00 -1.00 0.00 0.00 57.85 55.24 1wj4 n ARG 55 Cb 0.58 1.30 -0.06 0.00 -1.05 0.00 0.00 32.46 33.22 1wj4 n ARG 55 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1wj4 s GLU 56 N -2.69 0.17 -0.14 2.89 2.12 0.44 -4.89 118.70 116.61 1wj4 s GLU 56 Ca 0.18 0.32 -0.07 0.00 0.36 0.00 0.00 54.97 55.76 1wj4 s GLU 56 Cb 0.01 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 1wj4 s GLU 56 CO 0.13 -0.04 0.12 -1.14 -0.54 0.00 0.00 175.26 173.79 1wj4 s GLN 57 N 1.37 3.64 0.26 4.30 0.74 -1.26 0.20 119.66 128.91 1wj4 s GLN 57 Ca -0.07 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.17 1wj4 s GLN 57 Cb -0.03 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 1wj4 s GLN 57 CO -0.13 0.61 0.12 0.96 -0.55 0.00 0.00 175.29 176.31 1wj4 s ILE 58 N -0.56 0.37 -0.10 -2.34 -4.36 -0.37 -4.94 121.20 108.90 1wj4 s ILE 58 Ca 0.12 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1wj4 s ILE 58 Cb -0.12 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 41.04 1wj4 s ILE 58 CO 0.02 0.00 -0.04 -0.89 0.24 0.00 0.00 174.94 174.27 1wj4 s THR 59 N -3.81 0.74 0.20 8.37 2.01 -1.26 -1.00 115.64 120.89 1wj4 s THR 59 Ca 0.38 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.31 1wj4 s THR 59 Cb 0.07 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 1wj4 s THR 59 CO 0.14 0.31 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.53 1wj4 s LEU 60 N 1.82 2.48 0.41 4.42 1.43 0.30 -4.90 118.68 124.65 1wj4 s LEU 60 Ca 0.05 -1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 51.85 1wj4 s LEU 60 Cb -0.12 -0.49 -0.09 0.00 0.03 0.00 0.00 46.19 45.52 1wj4 s LEU 60 CO -0.07 -0.30 1.05 -2.16 0.23 0.00 0.00 176.35 175.10 1wj4 s PRO 61 N -3.73 4.09 0.47 1.29 0.04 -1.26 0.23 135.00 136.13 1wj4 s PRO 61 Ca 0.22 1.50 0.14 0.00 0.04 0.00 0.00 61.00 62.90 1wj4 s PRO 61 Cb 0.02 -2.47 1.07 0.00 0.04 0.00 0.00 34.50 33.16 1wj4 s PRO 61 CO 0.06 -0.20 2.04 0.93 0.04 0.00 0.00 177.00 179.87 1wj4 h GLU 62 N 2.33 0.05 0.00 4.56 5.08 -1.92 0.37 114.58 125.05 1wj4 h GLU 62 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1wj4 h GLU 62 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wj4 h GLU 62 CO 0.62 0.14 0.00 -0.56 -1.00 0.00 0.00 179.01 178.21 1wj4 h GLN 63 N 0.05 0.00 -6.60 2.33 3.07 -1.94 -0.25 115.11 111.78 1wj4 h GLN 63 Ca 0.01 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.18 1wj4 h GLN 63 Cb 0.19 0.00 0.07 0.00 0.08 0.00 0.00 27.48 27.82 1wj4 h GLN 63 CO 0.01 0.00 0.78 0.00 0.09 0.00 0.00 178.83 179.71 1wj4 n ALA 64 N -1.90 1.64 -1.90 0.06 0.00 0.12 -4.56 120.51 113.98 1wj4 n ALA 64 Ca 0.04 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 1wj4 n ALA 64 Cb 0.42 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.48 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 0.29 4.29 0.44 0.00 1.02 -1.26 -0.06 119.74 124.46 1wj4 s LYS 65 Ca 0.73 2.26 0.29 0.00 0.02 0.00 0.00 55.97 59.26 1wj4 s LYS 65 Cb -0.62 -3.12 1.40 0.00 -0.52 0.00 0.00 37.83 34.96 1wj4 s LYS 65 CO 0.43 -0.38 1.64 1.25 -0.92 0.00 0.00 175.35 177.37 1wj4 h LEU 66 N 5.06 0.25 -1.17 3.17 7.12 -1.58 2.41 115.31 130.57 1wj4 h LEU 66 Ca -0.46 0.12 0.12 0.00 0.13 0.00 0.00 57.88 57.79 1wj4 h LEU 66 Cb 1.22 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 41.38 1wj4 h LEU 66 CO 0.77 -0.14 0.59 0.25 -0.13 0.00 0.00 178.44 179.79 1wj4 h LEU 67 N 0.12 0.80 -0.37 2.25 6.46 -1.86 -0.00 115.31 122.70 1wj4 h LEU 67 Ca 0.79 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 58.66 1wj4 h LEU 67 Cb 2.47 -0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 42.19 1wj4 h LEU 67 CO -0.38 0.44 -0.25 0.00 -0.62 0.00 0.00 178.44 177.62 1wj4 h ALA 68 N 1.56 -0.05 -0.62 1.25 0.00 0.38 2.55 119.26 124.33 1wj4 h ALA 68 Ca 0.45 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.39 1wj4 h ALA 68 Cb 0.53 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1wj4 h ALA 68 CO -0.21 -0.64 0.06 1.25 0.00 0.00 0.00 179.25 179.70 1wj4 h LEU 69 N -0.20 1.01 -1.02 0.00 5.85 -1.25 -0.42 115.31 119.28 1wj4 h LEU 69 Ca 0.18 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1wj4 h LEU 69 Cb 0.48 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1wj4 h LEU 69 CO -0.48 1.03 0.11 0.58 -0.34 0.00 0.00 178.44 179.34 1wj4 h VAL 70 N 0.97 1.23 -0.12 1.05 2.07 0.94 -1.69 116.25 120.71 1wj4 h VAL 70 Ca 0.19 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.75 1wj4 h VAL 70 Cb 0.48 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1wj4 h VAL 70 CO 0.02 0.31 -0.44 0.11 0.02 0.00 0.00 177.57 177.58 1wj4 h LYS 71 N 0.78 0.28 0.47 1.57 1.57 0.48 -1.30 116.57 120.42 1wj4 h LYS 71 Ca 0.17 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1wj4 h LYS 71 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1wj4 h LYS 71 CO 0.00 0.67 -0.31 1.25 -0.57 0.00 0.00 179.45 180.49 1wj4 h HIS 72 N 0.23 -0.84 -0.36 -1.35 2.76 -0.16 -0.74 115.15 114.69 1wj4 h HIS 72 Ca 0.02 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1wj4 h HIS 72 Cb 0.88 0.30 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 1wj4 h HIS 72 CO 0.02 -0.46 0.25 -0.39 -1.30 0.00 0.00 177.93 176.05 1wj4 h VAL 73 N -0.74 0.95 -0.36 5.26 -1.51 -1.49 -0.40 116.25 117.96 1wj4 h VAL 73 Ca -0.06 -0.09 0.06 0.00 -1.23 0.00 0.00 66.70 65.37 1wj4 h VAL 73 Cb 0.60 0.67 -0.05 0.00 -2.13 0.00 0.00 31.29 30.38 1wj4 h VAL 73 CO 0.05 0.05 0.06 -0.61 -1.23 0.00 0.00 177.57 175.89 1wj4 h GLN 74 N 0.26 0.18 -0.05 5.19 4.15 -0.62 -1.19 115.11 123.03 1wj4 h GLN 74 Ca 0.16 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.40 1wj4 h GLN 74 Cb 0.30 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1wj4 h GLN 74 CO -0.03 0.12 -0.69 0.77 -1.93 0.00 0.00 178.83 177.06 1wj4 h SER 75 N 0.18 0.29 -0.94 -0.69 0.02 -0.02 -3.00 113.55 109.38 1wj4 h SER 75 Ca 0.17 -0.18 0.14 0.00 -0.84 0.00 0.00 61.79 61.07 1wj4 h SER 75 Cb 0.20 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.58 1wj4 h SER 75 CO -0.24 0.89 0.60 0.11 -1.14 0.00 0.00 176.83 177.05 1wj4 h LYS 76 N 0.17 0.80 0.00 3.45 1.79 -0.07 -3.44 116.57 119.26 1wj4 h LYS 76 Ca -0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1wj4 h LYS 76 Cb 1.24 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1wj4 h LYS 76 CO 0.11 0.53 0.00 0.41 -1.08 0.00 0.00 179.45 179.42 1wj4 n GLY 77 N -1.39 0.33 3.04 3.86 0.00 -0.55 -5.08 105.19 105.39 1wj4 n GLY 77 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.41 -1.41 0.10 1.61 1.51 -0.72 -5.02 117.35 113.03 1wj4 s TYR 78 Ca 0.00 0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 56.25 1wj4 s TYR 78 Cb 0.00 0.09 -0.06 0.00 -0.11 0.00 0.00 41.96 41.88 1wj4 s TYR 78 CO 0.00 -1.06 1.15 -1.25 -1.11 0.00 0.00 175.55 173.28 1wj4 s PRO 79 N 2.42 4.50 0.18 -1.71 0.04 -1.26 -3.15 135.00 136.02 1wj4 s PRO 79 Ca 0.12 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1wj4 s PRO 79 Cb -0.10 -3.32 0.08 0.00 0.04 0.00 0.00 34.50 31.19 1wj4 s PRO 79 CO -0.22 -0.11 1.58 -0.97 0.04 0.00 0.00 177.00 177.31 1wj4 h ASN 80 N 6.10 -1.32 -1.43 6.66 -1.24 -1.88 1.28 115.58 123.76 1wj4 h ASN 80 Ca -0.43 0.23 0.41 0.00 0.71 0.00 0.00 56.30 57.23 1wj4 h ASN 80 Cb 1.21 0.62 -0.06 0.00 0.73 0.00 0.00 38.32 40.83 1wj4 h ASN 80 CO 0.77 -0.32 1.21 1.05 -1.29 0.00 0.00 177.43 178.85 1wj4 h GLU 81 N -0.20 0.00 0.00 6.67 4.11 -1.99 -3.08 114.58 120.09 1wj4 h GLU 81 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1wj4 h GLU 81 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wj4 h GLU 81 CO -0.68 0.00 0.00 0.54 0.07 0.00 0.00 179.01 178.94 1wj4 n ARG 82 N -3.70 0.00 -3.34 1.06 1.74 0.40 -4.76 116.66 108.06 1wj4 n ARG 82 Ca 0.32 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.07 1wj4 n ARG 82 Cb 1.65 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 33.03 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 0.00 3.44 0.22 -1.55 0.40 0.11 -0.08 117.98 120.53 1wj4 s PHE 83 Ca 0.00 0.99 0.11 0.00 -0.60 0.00 0.00 56.93 57.42 1wj4 s PHE 83 Cb 0.00 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 1wj4 s PHE 83 CO 0.00 0.25 -0.20 -1.83 0.70 0.00 0.00 175.22 174.14 1wj4 s GLU 84 N -2.71 1.50 -0.12 0.44 -1.05 0.49 -3.49 118.70 113.76 1wj4 s GLU 84 Ca 0.47 -1.60 -0.07 0.00 -0.15 0.00 0.00 54.97 53.62 1wj4 s GLU 84 Cb -0.12 -1.61 -0.04 0.00 -0.44 0.00 0.00 34.13 31.92 1wj4 s GLU 84 CO 0.20 0.32 0.14 -0.51 0.95 0.00 0.00 175.26 176.36 1wj4 s LEU 85 N -3.07 4.37 0.36 1.83 1.02 -1.26 0.25 118.68 122.18 1wj4 s LEU 85 Ca 0.23 0.45 0.03 0.00 0.02 0.00 0.00 54.13 54.87 1wj4 s LEU 85 Cb -0.05 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 1wj4 s LEU 85 CO 0.11 0.40 0.09 -0.76 0.02 0.00 0.00 176.35 176.20 1wj4 s LEU 86 N -0.94 2.05 0.52 1.79 1.43 0.12 -3.33 118.68 120.32 1wj4 s LEU 86 Ca 0.15 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1wj4 s LEU 86 Cb -0.12 -0.24 -0.00 0.00 0.03 0.00 0.00 46.19 45.86 1wj4 s LEU 86 CO 0.04 -0.76 0.01 0.42 0.23 0.00 0.00 176.35 176.28 1wj4 s THR 87 N -3.30 1.00 0.49 5.49 -4.23 -0.16 -0.04 115.64 114.89 1wj4 s THR 87 Ca 0.31 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1wj4 s THR 87 Cb 0.06 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 1wj4 s THR 87 CO 0.15 0.00 0.75 0.21 -0.54 0.00 0.00 174.62 175.19 1wj4 s ASN 88 N -3.89 5.95 -0.20 3.99 3.84 -1.22 -4.29 114.94 119.12 1wj4 s ASN 88 Ca 0.02 0.62 -0.31 0.00 0.21 0.00 0.00 52.86 53.40 1wj4 s ASN 88 Cb 0.00 -1.85 -0.14 0.00 -0.55 0.00 0.00 41.25 38.71 1wj4 s ASN 88 CO 0.01 -0.72 0.98 2.22 -2.79 0.00 0.00 177.10 176.80 1wj4 n PHE 89 N -2.24 0.91 -1.76 0.43 1.16 -1.26 -4.06 117.46 110.63 1wj4 n PHE 89 Ca 0.01 0.79 -0.32 0.00 -1.87 0.00 0.00 57.45 56.07 1wj4 n PHE 89 Cb 0.57 -1.55 0.03 0.00 -1.61 0.00 0.00 39.48 36.92 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 1.21 3.11 -0.99 3.97 0.04 -1.26 -5.02 135.00 136.06 1wj4 s PRO 90 Ca 0.71 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.54 1wj4 s PRO 90 Cb -1.00 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 1wj4 s PRO 90 CO 0.51 -0.96 2.01 0.50 0.04 0.00 0.00 177.00 179.09 1wj4 s ARG 91 N -4.69 2.33 -0.12 4.56 3.00 -1.26 -4.78 118.95 117.99 1wj4 s ARG 91 Ca 0.60 -0.48 -0.05 0.00 -1.00 0.00 0.00 55.73 54.80 1wj4 s ARG 91 Cb -0.14 -5.08 -0.04 0.00 0.00 0.00 0.00 34.95 29.69 1wj4 s ARG 91 CO 0.48 -3.83 0.08 0.50 0.00 0.00 0.00 175.30 172.53 1wj4 s ARG 92 N 7.16 3.39 0.11 5.12 3.52 -1.26 -4.94 118.95 132.05 1wj4 s ARG 92 Ca 0.73 -0.26 0.04 0.00 -0.13 0.00 0.00 55.73 56.10 1wj4 s ARG 92 Cb -0.05 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1wj4 s ARG 92 CO 0.06 0.66 0.12 0.15 -0.81 0.00 0.00 175.30 175.47 1wj4 s LYS 93 N -0.71 2.94 -0.62 5.12 1.02 -1.26 -0.98 119.74 125.24 1wj4 s LYS 93 Ca 0.12 -0.74 0.05 0.00 0.02 0.00 0.00 55.97 55.42 1wj4 s LYS 93 Cb -0.12 -2.72 0.16 0.00 -0.52 0.00 0.00 37.83 34.63 1wj4 s LYS 93 CO 0.03 0.54 0.42 -0.51 -0.92 0.00 0.00 175.35 174.90 1wj4 s LEU 94 N -2.70 4.22 0.00 3.17 2.01 -1.21 -4.71 118.68 119.46 1wj4 s LEU 94 Ca 0.30 -3.55 0.00 0.00 0.01 0.00 0.00 54.13 50.89 1wj4 s LEU 94 Cb -0.11 -1.46 0.00 0.00 0.01 0.00 0.00 46.19 44.62 1wj4 s LEU 94 CO 0.23 -0.13 0.00 -0.24 1.01 0.00 0.00 176.35 177.22 1wj4 n SER 95 N 2.36 0.00 0.36 2.29 2.88 -1.26 -4.75 113.62 115.50 1wj4 n SER 95 Ca 0.18 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.55 1wj4 n SER 95 Cb 0.36 0.22 -0.09 0.00 -0.75 0.00 0.00 64.21 63.95 1wj4 n SER 95 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 1wj4 h HIS 96 N 0.00 -1.15 0.00 0.66 2.07 -2.00 -3.31 115.15 111.41 1wj4 h HIS 96 Ca 0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1wj4 h HIS 96 Cb 0.00 0.42 0.00 0.00 2.57 0.00 0.00 27.41 30.40 1wj4 h HIS 96 CO 0.00 -0.63 0.00 1.47 -3.07 0.00 0.00 177.93 175.70 1wj4 n LEU 97 N -5.12 0.00 -3.65 6.12 -0.00 -1.26 -4.95 117.00 108.14 1wj4 n LEU 97 Ca -0.13 0.26 0.04 0.00 -0.00 0.00 0.00 56.01 56.18 1wj4 n LEU 97 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1wj4 n LEU 97 CO 0.29 0.00 1.22 -1.81 -0.00 0.00 0.00 177.39 177.09 1wj4 s ASP 98 N -2.99 -0.00 0.00 1.45 1.01 -1.25 -5.03 116.67 109.86 1wj4 s ASP 98 Ca 0.00 -0.00 0.05 0.00 0.71 0.00 0.00 52.55 53.30 1wj4 s ASP 98 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 42.92 43.91 1wj4 s ASP 98 CO 0.00 -0.00 0.30 -1.22 0.21 0.00 0.00 175.17 174.46 1wj4 n TYR 99 N -0.60 0.00 1.17 4.23 4.01 -1.26 -4.46 117.16 120.25 1wj4 n TYR 99 Ca -0.07 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.81 1wj4 n TYR 99 Cb 0.63 0.00 0.60 0.00 -0.31 0.00 0.00 39.34 40.26 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 -0.77 0.15 -3.22 7.72 2.03 -1.26 -2.99 116.55 118.21 1wj4 n ASP 100 Ca 0.01 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1wj4 n ASP 100 Cb 0.08 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.35 0.00 -4.38 5.18 -5.35 -1.26 -4.90 119.36 107.30 1wj4 n ILE 101 Ca 0.10 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.31 1wj4 n ILE 101 Cb 0.31 -1.45 -0.12 0.00 -1.74 0.00 0.00 39.64 36.63 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 -0.06 2.15 0.55 7.28 -4.23 -1.26 -3.55 115.64 116.53 1wj4 s THR 102 Ca 0.00 -1.83 0.47 0.00 -1.18 0.00 0.00 61.69 59.16 1wj4 s THR 102 Cb 0.00 -1.95 0.70 0.00 1.34 0.00 0.00 72.50 72.59 1wj4 s THR 102 CO 0.00 -0.04 1.51 0.18 -0.54 0.00 0.00 174.62 175.73 1wj4 n LEU 103 N 0.67 0.00 0.10 4.79 4.77 0.91 0.14 117.00 128.38 1wj4 n LEU 103 Ca -0.16 0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 56.67 1wj4 n LEU 103 Cb 0.54 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1wj4 n LEU 103 CO 0.26 -0.96 0.36 -0.61 -1.33 0.00 0.00 177.39 175.11 1wj4 h GLN 104 N 0.00 -0.32 -0.48 3.23 4.15 -1.81 0.32 115.11 120.20 1wj4 h GLN 104 Ca 0.88 0.02 0.09 0.00 0.77 0.00 0.00 58.65 60.42 1wj4 h GLN 104 Cb 3.65 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 31.32 1wj4 h GLN 104 CO -0.01 0.03 -0.27 0.93 -1.93 0.00 0.00 178.83 177.58 1wj4 h GLU 105 N -0.93 -0.16 0.00 1.69 5.08 0.84 1.43 114.58 122.54 1wj4 h GLU 105 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1wj4 h GLU 105 Cb 0.49 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wj4 h GLU 105 CO 0.06 -0.10 0.23 0.00 -1.00 0.00 0.00 179.01 178.19 1wj4 h ALA 106 N 1.06 1.23 -1.44 3.43 0.00 -1.37 -3.45 119.26 118.71 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wj4 h ALA 106 CO -0.58 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 178.86 1wj4 n GLY 107 N -1.18 0.54 0.60 0.00 0.00 0.49 -4.85 105.19 100.79 1wj4 n GLY 107 Ca -0.02 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.72 1.85 -4.23 0.99 4.77 0.11 -4.93 117.00 114.84 1wj4 n LEU 108 Ca 0.00 -2.84 -0.24 0.00 -0.03 0.00 0.00 56.01 52.90 1wj4 n LEU 108 Cb 0.39 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 1wj4 n LEU 108 CO 0.00 0.85 -0.51 0.00 -1.33 0.00 0.00 177.39 176.40 1wj4 h PRO 110 N 4.72 0.58 -5.75 0.00 0.13 -1.96 -3.47 132.00 126.26 1wj4 h PRO 110 Ca -0.42 -0.56 -0.60 0.00 -0.87 0.00 0.00 66.00 63.54 1wj4 h PRO 110 Cb 1.17 0.15 -0.30 0.00 0.13 0.00 0.00 31.00 32.14 1wj4 h PRO 110 CO 0.43 1.18 -0.85 -0.65 -0.23 0.00 0.00 178.00 177.88 1wj4 s GLN 111 N -3.43 1.83 -0.12 0.86 1.11 -1.26 -2.70 119.66 115.97 1wj4 s GLN 111 Ca -0.12 -0.71 -0.16 0.00 0.01 0.00 0.00 55.36 54.38 1wj4 s GLN 111 Cb 0.06 -1.67 0.04 0.00 -1.01 0.00 0.00 33.01 30.43 1wj4 s GLN 111 CO 0.87 0.36 0.41 -2.00 0.01 0.00 0.00 175.29 174.94 1wj4 s GLU 112 N -0.25 0.58 -0.20 2.91 2.56 -0.75 -4.96 118.70 118.59 1wj4 s GLU 112 Ca 0.02 0.37 -0.22 0.00 0.00 0.00 0.00 54.97 55.14 1wj4 s GLU 112 Cb -0.10 0.27 -0.02 0.00 2.00 0.00 0.00 34.13 36.28 1wj4 s GLU 112 CO 0.01 -0.11 0.71 0.99 -0.56 0.00 0.00 175.26 176.30 1wj4 s THR 113 N -0.26 4.96 0.20 -1.70 2.01 -1.26 -2.51 115.64 117.08 1wj4 s THR 113 Ca -0.04 1.35 -0.04 0.00 0.31 0.00 0.00 61.69 63.27 1wj4 s THR 113 Cb -0.03 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1wj4 s THR 113 CO 0.02 0.06 0.44 -0.69 -0.69 0.00 0.00 174.62 173.75 1wj4 s VAL 114 N 2.15 5.13 -0.21 3.82 1.01 0.81 -3.40 120.40 129.72 1wj4 s VAL 114 Ca 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1wj4 s VAL 114 Cb -0.16 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.62 1wj4 s VAL 114 CO 0.10 -0.13 0.20 -0.36 0.00 0.00 0.00 175.10 174.91 1wj4 s PHE 115 N -1.85 -0.17 -0.56 5.22 0.40 0.94 -1.01 117.98 120.96 1wj4 s PHE 115 Ca 0.41 0.04 -0.28 0.00 -0.60 0.00 0.00 56.93 56.51 1wj4 s PHE 115 Cb -0.11 -0.46 0.01 0.00 0.51 0.00 0.00 43.02 42.97 1wj4 s PHE 115 CO 0.27 -0.62 1.44 0.08 0.70 0.00 0.00 175.22 177.09 1wj4 s VAL 116 N 2.28 3.76 0.22 -0.44 1.01 0.14 0.14 120.40 127.52 1wj4 s VAL 116 Ca 0.06 0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.76 1wj4 s VAL 116 Cb -0.16 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1wj4 s VAL 116 CO -0.14 -1.15 0.10 -1.58 0.00 0.00 0.00 175.10 172.33 1wj4 s GLN 117 N 5.57 2.67 -0.11 2.72 0.74 0.69 -2.94 119.66 128.99 1wj4 s GLN 117 Ca 0.53 -1.11 -0.29 0.00 0.05 0.00 0.00 55.36 54.54 1wj4 s GLN 117 Cb -0.11 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 1wj4 s GLN 117 CO 0.25 0.42 1.51 -1.21 -0.55 0.00 0.00 175.29 175.71 1wj4 s GLU 118 N -3.45 4.16 0.31 1.67 2.02 -1.26 0.19 118.70 122.33 1wj4 s GLU 118 Ca 0.31 1.94 0.04 0.00 0.02 0.00 0.00 54.97 57.28 1wj4 s GLU 118 Cb -0.08 -3.91 -0.02 0.00 0.10 0.00 0.00 34.13 30.21 1wj4 s GLU 118 CO 0.22 -0.84 0.46 0.45 0.02 0.00 0.00 175.26 175.57 1wj4 s SER 119 N 2.93 6.17 0.00 -0.19 0.15 0.89 -4.79 113.70 118.86 1wj4 s SER 119 Ca 0.66 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1wj4 s SER 119 Cb -0.28 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1wj4 s SER 119 CO 0.24 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1wj4 n GLY 120 N -1.61 -1.24 0.19 9.45 0.00 -1.26 -4.69 105.19 106.03 1wj4 n GLY 120 Ca -0.05 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 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 0.67 -2.63 1.61 0.13 -1.98 -3.44 132.00 126.36 1wj4 h PRO 121 Ca 0.00 -0.66 -0.14 0.00 -0.87 0.00 0.00 66.00 64.34 1wj4 h PRO 121 Cb 0.00 0.17 -0.29 0.00 0.13 0.00 0.00 31.00 31.01 1wj4 h PRO 121 CO 0.00 1.26 -0.42 -1.54 -0.23 0.00 0.00 178.00 177.06 1wj4 s SER 122 N -7.11 -0.06 -0.05 1.44 1.04 -1.26 -5.15 113.70 102.55 1wj4 s SER 122 Ca -0.11 0.86 0.03 0.00 0.48 0.00 0.00 55.95 57.21 1wj4 s SER 122 Cb 0.07 1.13 0.01 0.00 0.10 0.00 0.00 66.02 67.33 1wj4 s SER 122 CO 0.90 -0.23 -0.12 -0.55 0.98 0.00 0.00 173.24 174.22 1wj4 s SER 123 N 2.54 1.62 0.00 7.02 0.15 -1.26 -5.19 113.70 118.58 1wj4 s SER 123 Ca -0.01 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1wj4 s SER 123 Cb -0.12 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1wj4 s SER 123 CO -0.11 0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99