#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 0.06 0.08 1.61 7.64 -1.26 -5.09 113.62 116.67 1wj4 n SER 2 Ca 0.00 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1wj4 n SER 2 Cb 0.00 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1wj4 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wj4 n SER 3 N -3.39 -1.51 0.00 6.43 7.64 -1.26 -5.16 113.62 116.37 1wj4 n SER 3 Ca 0.00 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1wj4 n SER 3 Cb 0.01 1.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.90 1wj4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj4 n GLY 4 N -1.19 0.43 2.26 0.23 0.00 -1.26 -5.10 105.19 100.56 1wj4 n GLY 4 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 1wj4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wj4 n SER 5 N 0.00 -4.64 -3.65 1.61 7.64 -1.26 -5.09 113.62 108.22 1wj4 n SER 5 Ca 0.00 0.91 -0.05 0.00 1.01 0.00 0.00 58.87 60.74 1wj4 n SER 5 Cb 0.00 -3.78 -0.01 0.00 -1.01 0.00 0.00 64.21 59.42 1wj4 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wj4 s SER 6 N -0.89 -0.15 -0.32 6.43 1.04 -1.26 -5.13 113.70 113.41 1wj4 s SER 6 Ca -0.05 -0.56 -0.10 0.00 0.48 0.00 0.00 55.95 55.73 1wj4 s SER 6 Cb 0.00 0.58 0.20 0.00 0.10 0.00 0.00 66.02 66.90 1wj4 s SER 6 CO 0.51 -1.09 1.12 -0.83 0.98 0.00 0.00 173.24 173.93 1wj4 s GLY 7 N -3.01 -1.78 -0.04 7.32 0.00 -1.26 -5.17 107.32 103.38 1wj4 s GLY 7 Ca 0.14 1.10 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 1wj4 s GLY 7 CO 0.05 4.39 0.82 -1.59 0.00 0.00 0.00 173.10 176.77 1wj4 s THR 8 N 1.53 0.00 0.21 0.90 2.01 -1.26 -5.18 115.64 113.84 1wj4 s THR 8 Ca 0.18 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 1wj4 s THR 8 Cb 0.09 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.64 1wj4 s THR 8 CO -0.14 0.00 0.72 0.00 -0.69 0.00 0.00 174.62 174.51 1wj4 s ALA 9 N -2.01 -1.43 -0.29 7.40 0.00 -1.26 -5.18 121.76 119.00 1wj4 s ALA 9 Ca -0.02 0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.78 1wj4 s ALA 9 Cb -0.01 0.81 0.14 0.00 0.00 0.00 0.00 23.12 24.07 1wj4 s ALA 9 CO -0.01 -0.93 1.14 -0.08 0.00 0.00 0.00 175.76 175.88 1wj4 s THR 10 N -3.74 0.00 -0.06 0.00 -1.32 -1.26 -5.18 115.64 104.09 1wj4 s THR 10 Ca 0.08 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.26 1wj4 s THR 10 Cb -0.04 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.05 1wj4 s THR 10 CO -0.01 0.00 0.83 0.20 -2.21 0.00 0.00 174.62 173.44 1wj4 s ASN 11 N 0.31 -0.48 -0.25 8.08 0.01 -1.26 -5.18 114.94 116.17 1wj4 s ASN 11 Ca 0.03 0.35 -0.28 0.00 -0.71 0.00 0.00 52.86 52.25 1wj4 s ASN 11 Cb -0.05 0.42 0.17 0.00 0.41 0.00 0.00 41.25 42.21 1wj4 s ASN 11 CO -0.10 -0.56 1.25 -1.38 -1.51 0.00 0.00 177.10 174.81 1wj4 s HIS 12 N -1.91 -0.16 0.36 2.20 -3.43 -1.26 -5.18 115.29 105.91 1wj4 s HIS 12 Ca -0.03 0.31 0.08 0.00 -0.80 0.00 0.00 55.06 54.63 1wj4 s HIS 12 Cb -0.01 0.47 -0.05 0.00 -1.43 0.00 0.00 32.58 31.57 1wj4 s HIS 12 CO -0.00 -0.13 0.12 1.14 -2.00 0.00 0.00 174.74 173.87 1wj4 s GLN 13 N -0.78 2.25 0.04 -0.38 -2.07 -1.26 -4.99 119.66 112.48 1wj4 s GLN 13 Ca 0.05 -1.68 0.00 0.00 -1.82 0.00 0.00 55.36 51.91 1wj4 s GLN 13 Cb -0.02 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 1wj4 s GLN 13 CO -0.06 0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.37 1wj4 n GLY 14 N -1.12 -0.65 3.69 2.60 0.00 -1.26 -5.12 105.19 103.33 1wj4 n GLY 14 Ca -0.03 0.20 -0.63 0.00 0.00 0.00 0.00 46.02 45.56 1wj4 n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wj4 n LEU 15 N -2.47 1.30 0.00 0.99 7.99 -1.26 -4.92 117.00 118.63 1wj4 n LEU 15 Ca 0.00 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.15 1wj4 n LEU 15 Cb 0.00 -0.97 0.00 0.00 -0.11 0.00 0.00 43.42 42.34 1wj4 n LEU 15 CO 0.00 -0.95 0.00 -0.81 -1.51 0.00 0.00 177.39 174.12 1wj4 n PRO 16 N 3.77 0.26 -3.81 3.23 -0.04 -1.26 -5.10 135.00 132.05 1wj4 n PRO 16 Ca 0.27 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1wj4 n PRO 16 Cb 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.37 1wj4 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wj4 s ALA 17 N -3.50 -0.50 0.25 0.55 0.00 -1.26 -5.16 121.76 112.14 1wj4 s ALA 17 Ca 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 1wj4 s ALA 17 Cb 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 1wj4 s ALA 17 CO 0.00 -0.13 0.55 0.14 0.00 0.00 0.00 175.76 176.32 1wj4 s VAL 18 N -0.27 4.95 -0.29 0.00 -7.23 -1.26 -5.08 120.40 111.22 1wj4 s VAL 18 Ca -0.04 0.37 -0.16 0.00 -1.81 0.00 0.00 61.98 60.34 1wj4 s VAL 18 Cb -0.03 -3.65 0.16 0.00 0.56 0.00 0.00 36.38 33.43 1wj4 s VAL 18 CO 0.01 -0.14 1.04 -0.62 -0.31 0.00 0.00 175.10 175.08 1wj4 s ASP 19 N -2.58 -0.42 0.48 4.85 -1.08 -1.26 -5.14 116.67 111.53 1wj4 s ASP 19 Ca 0.47 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 53.14 1wj4 s ASP 19 Cb -0.11 1.24 0.00 0.00 -1.46 0.00 0.00 42.92 42.59 1wj4 s ASP 19 CO 0.24 -0.10 0.00 -1.20 0.52 0.00 0.00 175.17 174.63 1wj4 n SER 20 N 3.83 -7.86 0.10 -0.34 7.64 -1.26 -5.06 113.62 110.67 1wj4 n SER 20 Ca -0.16 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1wj4 n SER 20 Cb 0.56 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 1wj4 n SER 20 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1wj4 n GLU 21 N -1.10 0.00 -1.73 1.43 2.13 -1.26 -5.12 120.64 115.00 1wj4 n GLU 21 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1wj4 n GLU 21 Cb 0.05 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.77 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 -3.06 2.41 -4.47 6.31 5.41 -1.26 -4.81 119.36 119.89 1wj4 n ILE 22 Ca 0.00 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 63.01 1wj4 n ILE 22 Cb 0.00 -1.72 -0.10 0.00 -0.71 0.00 0.00 39.64 37.11 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 -1.90 2.66 -0.93 1.39 -0.00 -1.26 -5.03 118.68 113.60 1wj4 s LEU 23 Ca 0.58 -1.05 -0.01 0.00 -0.00 0.00 0.00 54.13 53.66 1wj4 s LEU 23 Cb -0.50 -1.11 0.28 0.00 -0.00 0.00 0.00 46.19 44.86 1wj4 s LEU 23 CO 0.60 -0.02 1.19 -0.62 -0.00 0.00 0.00 176.35 177.50 1wj4 n GLU 24 N -0.68 3.72 -1.62 1.48 -0.58 -1.26 -5.00 120.64 116.70 1wj4 n GLU 24 Ca -0.05 -4.59 0.00 0.00 -0.42 0.00 0.00 57.16 52.10 1wj4 n GLU 24 Cb 0.61 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.05 1wj4 n GLU 24 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1wj4 n MET 25 N 1.29 -4.26 -2.50 3.49 2.81 -1.26 -4.83 117.12 111.87 1wj4 n MET 25 Ca 0.27 3.29 -0.41 0.00 -1.81 0.00 0.00 57.70 59.04 1wj4 n MET 25 Cb 0.36 -4.08 -0.04 0.00 -0.71 0.00 0.00 33.22 28.75 1wj4 n MET 25 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1wj4 s PRO 26 N -5.27 4.61 0.00 0.03 0.04 -1.26 -5.05 135.00 128.10 1wj4 s PRO 26 Ca 0.00 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1wj4 s PRO 26 Cb 0.00 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1wj4 s PRO 26 CO 0.00 0.12 0.00 -0.35 0.04 0.00 0.00 177.00 176.81 1wj4 n PRO 27 N 1.97 -0.02 -3.75 0.56 -0.04 -1.26 -5.09 135.00 127.36 1wj4 n PRO 27 Ca 0.01 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 1wj4 n PRO 27 Cb 0.46 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.04 2.48 -0.09 0.54 2.12 -1.26 -5.11 118.70 115.34 1wj4 s GLU 28 Ca 0.00 -1.57 -0.13 0.00 0.36 0.00 0.00 54.97 53.63 1wj4 s GLU 28 Cb 0.00 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 32.05 1wj4 s GLU 28 CO 0.00 -0.12 0.32 0.21 -0.54 0.00 0.00 175.26 175.13 1wj4 s LYS 29 N -4.04 3.96 0.05 4.30 2.20 -1.26 -5.08 119.74 119.86 1wj4 s LYS 29 Ca 0.45 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 56.28 1wj4 s LYS 29 Cb -0.02 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1wj4 s LYS 29 CO 0.26 0.52 -0.08 0.00 -0.36 0.00 0.00 175.35 175.69 1wj4 s ALA 30 N -0.44 0.66 0.20 3.13 0.00 -1.26 -5.16 121.76 118.90 1wj4 s ALA 30 Ca 0.20 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 1wj4 s ALA 30 Cb -0.14 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.08 1wj4 s ALA 30 CO 0.08 -0.03 0.91 0.34 0.00 0.00 0.00 175.76 177.06 1wj4 s ASP 31 N -1.78 -0.15 0.00 0.00 -1.08 -1.26 -5.05 116.67 107.35 1wj4 s ASP 31 Ca -0.07 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 1wj4 s ASP 31 Cb -0.08 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 41.94 1wj4 s ASP 31 CO -0.00 -1.06 0.00 0.61 0.52 0.00 0.00 175.17 175.24 1wj4 n GLY 32 N -0.51 0.93 0.00 2.66 0.00 -1.26 -4.90 105.19 102.11 1wj4 n GLY 32 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wj4 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wj4 n VAL 33 N 0.00 0.00 -3.70 1.61 0.24 -1.26 -5.17 118.33 110.05 1wj4 n VAL 33 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1wj4 n VAL 33 Cb 0.00 -0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.09 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 0.60 0.01 0.88 3.34 0.11 -1.26 -4.92 120.40 119.16 1wj4 s VAL 34 Ca 0.00 -0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 1wj4 s VAL 34 Cb 0.00 -0.69 0.18 0.00 -1.53 0.00 0.00 36.38 34.34 1wj4 s VAL 34 CO 0.00 -0.02 1.21 -1.61 -3.33 0.00 0.00 175.10 171.34 1wj4 s GLU 35 N 0.03 0.93 0.00 1.54 2.02 -1.26 -5.11 118.70 116.85 1wj4 s GLU 35 Ca -0.02 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1wj4 s GLU 35 Cb -0.03 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1wj4 s GLU 35 CO 0.02 -2.11 0.00 0.41 0.02 0.00 0.00 175.26 173.60 1wj4 n GLY 36 N -3.44 1.14 3.12 -1.39 0.00 -1.26 -5.08 105.19 98.28 1wj4 n GLY 36 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1wj4 n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wj4 n ILE 37 N 0.00 0.00 -3.28 -0.61 -5.35 -1.26 -5.00 119.36 103.85 1wj4 n ILE 37 Ca 0.00 -0.01 -0.21 0.00 -0.27 0.00 0.00 62.75 62.26 1wj4 n ILE 37 Cb 0.00 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.13 1wj4 n ILE 37 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1wj4 s ASP 38 N -2.61 5.95 -0.10 7.28 1.01 -1.26 -5.06 116.67 121.88 1wj4 s ASP 38 Ca 0.53 0.07 -0.08 0.00 0.71 0.00 0.00 52.55 53.78 1wj4 s ASP 38 Cb -0.09 -1.45 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 1wj4 s ASP 38 CO 0.45 -0.52 -0.15 0.52 0.21 0.00 0.00 175.17 175.67 1wj4 n VAL 39 N -1.83 0.90 -3.31 -1.27 0.31 -1.26 -5.04 118.33 106.83 1wj4 n VAL 39 Ca -0.00 0.31 0.03 0.00 -0.01 0.00 0.00 64.34 64.66 1wj4 n VAL 39 Cb 0.58 -2.05 -0.04 0.00 -0.91 0.00 0.00 33.84 31.43 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1wj4 s ASN 40 N -5.00 -0.47 0.00 4.52 0.01 -1.26 -5.17 114.94 107.56 1wj4 s ASN 40 Ca -0.12 0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1wj4 s ASN 40 Cb 0.02 1.51 0.00 0.00 0.41 0.00 0.00 41.25 43.18 1wj4 s ASN 40 CO 0.18 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 1wj4 n GLY 41 N 4.98 3.69 3.72 0.66 0.00 -1.26 -5.11 105.19 111.87 1wj4 n GLY 41 Ca -0.08 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.45 4.47 1.22 1.61 0.04 -1.26 -5.00 135.00 133.63 1wj4 s PRO 42 Ca 0.00 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 1wj4 s PRO 42 Cb 0.00 -3.34 0.25 0.00 0.04 0.00 0.00 34.50 31.44 1wj4 s PRO 42 CO 0.00 -0.17 0.54 1.17 0.04 0.00 0.00 177.00 178.58 1wj4 n LYS 43 N 3.62 -2.99 -5.00 4.56 4.81 -1.26 -4.59 118.16 117.31 1wj4 n LYS 43 Ca 0.07 -0.87 -0.32 0.00 -0.87 0.00 0.00 58.31 56.32 1wj4 n LYS 43 Cb 0.47 -1.79 -0.16 0.00 0.02 0.00 0.00 35.03 33.57 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 -2.18 2.31 -0.43 3.14 0.00 0.63 -4.85 121.76 120.38 1wj4 s ALA 44 Ca 0.56 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 51.34 1wj4 s ALA 44 Cb -0.13 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1wj4 s ALA 44 CO 0.54 0.22 0.66 -0.65 0.00 0.00 0.00 175.76 176.54 1wj4 s GLN 45 N 0.43 3.33 -0.22 0.00 -0.21 -0.87 0.01 119.66 122.14 1wj4 s GLN 45 Ca -0.15 -0.30 -0.05 0.00 0.02 0.00 0.00 55.36 54.89 1wj4 s GLN 45 Cb -0.17 -3.94 -0.02 0.00 1.00 0.00 0.00 33.01 29.88 1wj4 s GLN 45 CO 0.06 -1.01 -0.01 -0.51 -2.12 0.00 0.00 175.29 171.71 1wj4 s LEU 46 N 2.88 3.10 -0.53 2.90 2.01 0.39 -1.39 118.68 128.03 1wj4 s LEU 46 Ca 0.24 -0.30 -0.19 0.00 0.01 0.00 0.00 54.13 53.89 1wj4 s LEU 46 Cb -0.14 -1.80 0.07 0.00 0.01 0.00 0.00 46.19 44.34 1wj4 s LEU 46 CO 0.19 0.01 0.64 -0.32 1.01 0.00 0.00 176.35 177.88 1wj4 s MET 47 N 1.33 3.09 0.04 1.70 -2.45 -0.11 -0.86 119.30 122.04 1wj4 s MET 47 Ca 0.04 -1.04 -0.30 0.00 -1.25 0.00 0.00 55.69 53.14 1wj4 s MET 47 Cb -0.15 -4.15 -0.04 0.00 1.25 0.00 0.00 34.83 31.74 1wj4 s MET 47 CO -0.00 -1.32 1.04 -0.51 1.05 0.00 0.00 175.02 175.28 1wj4 s LEU 48 N 2.62 4.39 -0.28 4.11 1.43 0.51 0.19 118.68 131.64 1wj4 s LEU 48 Ca 0.14 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 1wj4 s LEU 48 Cb -0.21 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.51 1wj4 s LEU 48 CO 0.10 -0.29 0.01 -0.13 0.23 0.00 0.00 176.35 176.26 1wj4 s ARG 49 N 0.85 1.42 0.58 1.70 1.81 0.63 0.19 118.95 126.12 1wj4 s ARG 49 Ca 0.53 -1.28 -0.16 0.00 -1.72 0.00 0.00 55.73 53.10 1wj4 s ARG 49 Cb -0.24 -2.66 -0.04 0.00 -0.45 0.00 0.00 34.95 31.56 1wj4 s ARG 49 CO 0.29 -0.78 1.04 0.71 -0.68 0.00 0.00 175.30 175.88 1wj4 s TYR 50 N 1.28 3.10 0.21 -0.53 2.02 0.86 0.31 117.35 124.60 1wj4 s TYR 50 Ca 0.02 1.50 0.10 0.00 -0.37 0.00 0.00 57.07 58.31 1wj4 s TYR 50 Cb -0.19 -2.95 0.17 0.00 -0.40 0.00 0.00 41.96 38.59 1wj4 s TYR 50 CO -0.11 -0.95 1.50 -1.00 -1.57 0.00 0.00 175.55 173.43 1wj4 h PRO 51 N 0.50 0.00 -0.55 -1.71 0.13 -1.75 -3.06 132.00 125.57 1wj4 h PRO 51 Ca -0.47 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 1wj4 h PRO 51 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1wj4 h PRO 51 CO 0.58 0.73 0.67 0.22 -0.23 0.00 0.00 178.00 179.97 1wj4 h ASP 52 N 0.00 0.00 0.00 1.44 3.58 -1.93 -3.43 116.42 116.08 1wj4 h ASP 52 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1wj4 h ASP 52 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1wj4 h ASP 52 CO 0.10 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.07 1wj4 n GLY 53 N -1.53 1.71 4.01 -0.78 0.00 -1.15 -5.11 105.19 102.33 1wj4 n GLY 53 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 2.33 0.19 1.61 1.02 -1.25 -4.93 119.74 118.70 1wj4 s LYS 54 Ca 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1wj4 s LYS 54 Cb 0.00 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1wj4 s LYS 54 CO 0.00 -0.83 0.24 2.89 -0.92 0.00 0.00 175.35 176.73 1wj4 n ARG 55 N -2.31 0.35 -3.59 1.68 1.85 -1.26 -0.10 116.66 113.27 1wj4 n ARG 55 Ca 0.12 -1.60 -0.01 0.00 -1.00 0.00 0.00 57.85 55.36 1wj4 n ARG 55 Cb 0.60 1.48 -0.06 0.00 -1.05 0.00 0.00 32.46 33.43 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 -2.51 0.35 -0.16 2.89 2.12 0.50 -4.87 118.70 117.02 1wj4 s GLU 56 Ca 0.17 0.67 -0.08 0.00 0.36 0.00 0.00 54.97 56.09 1wj4 s GLU 56 Cb -0.00 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 1wj4 s GLU 56 CO 0.12 -0.08 0.11 -1.14 -0.54 0.00 0.00 175.26 173.73 1wj4 s GLN 57 N 1.62 3.83 0.20 4.30 0.74 -1.26 0.19 119.66 129.28 1wj4 s GLN 57 Ca -0.07 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.11 1wj4 s GLN 57 Cb -0.04 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.75 1wj4 s GLN 57 CO -0.15 0.48 0.09 0.96 -0.55 0.00 0.00 175.29 176.11 1wj4 s ILE 58 N -0.17 0.28 -0.11 -2.34 -4.36 -0.04 -4.94 121.20 109.52 1wj4 s ILE 58 Ca 0.10 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 1wj4 s ILE 58 Cb -0.12 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 41.20 1wj4 s ILE 58 CO 0.01 -0.15 -0.16 -0.89 0.24 0.00 0.00 174.94 173.99 1wj4 s THR 59 N -3.95 1.57 0.22 8.37 2.01 -1.26 -0.47 115.64 122.13 1wj4 s THR 59 Ca 0.34 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.72 1wj4 s THR 59 Cb 0.07 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1wj4 s THR 59 CO 0.10 0.46 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.63 1wj4 s LEU 60 N 1.00 2.47 0.40 4.42 1.43 0.10 -4.88 118.68 123.62 1wj4 s LEU 60 Ca -0.06 -1.10 -0.24 0.00 -1.03 0.00 0.00 54.13 51.71 1wj4 s LEU 60 Cb -0.15 -0.52 -0.09 0.00 0.03 0.00 0.00 46.19 45.46 1wj4 s LEU 60 CO -0.02 -0.31 1.06 -2.16 0.23 0.00 0.00 176.35 175.15 1wj4 s PRO 61 N -3.73 4.14 0.00 1.29 0.04 -1.26 0.23 135.00 135.71 1wj4 s PRO 61 Ca 0.24 1.52 0.11 0.00 0.04 0.00 0.00 61.00 62.92 1wj4 s PRO 61 Cb 0.02 -2.53 0.55 0.00 0.04 0.00 0.00 34.50 32.58 1wj4 s PRO 61 CO 0.07 -0.17 1.29 0.39 0.04 0.00 0.00 177.00 178.62 1wj4 n GLU 62 N -0.11 0.12 -0.30 4.56 1.02 -1.26 -1.13 120.64 123.53 1wj4 n GLU 62 Ca 0.05 0.21 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 1wj4 n GLU 62 Cb 0.50 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.61 1wj4 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wj4 n GLN 63 N -1.34 2.03 -3.42 3.49 10.64 -1.26 -2.74 117.38 124.77 1wj4 n GLN 63 Ca 0.05 -2.77 -0.38 0.00 -1.83 0.00 0.00 57.00 52.06 1wj4 n GLN 63 Cb 0.10 -1.67 -0.09 0.00 -0.86 0.00 0.00 30.24 27.72 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 -2.90 3.57 0.19 2.61 0.00 -0.28 -4.83 121.76 120.11 1wj4 s ALA 64 Ca 0.37 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1wj4 s ALA 64 Cb 0.32 -2.64 -0.17 0.00 0.00 0.00 0.00 23.12 20.63 1wj4 s ALA 64 CO 0.05 -0.48 0.75 1.17 0.00 0.00 0.00 175.76 177.25 1wj4 n LYS 65 N 4.90 0.38 0.19 0.00 3.00 -1.24 -1.65 118.16 123.73 1wj4 n LYS 65 Ca -0.09 0.13 0.11 0.00 -0.00 0.00 0.00 58.31 58.46 1wj4 n LYS 65 Cb 0.51 -1.32 0.60 0.00 0.00 0.00 0.00 35.03 34.82 1wj4 n LYS 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1wj4 h LEU 66 N 1.70 0.00 -0.57 3.14 5.85 -1.61 0.49 115.31 124.30 1wj4 h LEU 66 Ca -0.35 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.22 1wj4 h LEU 66 Cb 1.41 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1wj4 h LEU 66 CO 0.60 0.00 -0.70 0.25 -0.34 0.00 0.00 178.44 178.25 1wj4 h LEU 67 N 0.00 0.10 -0.62 2.25 5.85 -1.81 -2.97 115.31 118.12 1wj4 h LEU 67 Ca 0.00 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1wj4 h LEU 67 Cb 0.16 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1wj4 h LEU 67 CO 0.00 0.77 0.30 0.00 -0.34 0.00 0.00 178.44 179.16 1wj4 h ALA 68 N 1.23 0.82 -0.22 1.25 0.00 -0.31 0.92 119.26 122.95 1wj4 h ALA 68 Ca -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1wj4 h ALA 68 Cb 1.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1wj4 h ALA 68 CO 0.10 -0.08 -0.20 1.25 0.00 0.00 0.00 179.25 180.31 1wj4 h LEU 69 N 0.54 0.39 -0.19 0.00 7.12 -1.63 -0.54 115.31 121.00 1wj4 h LEU 69 Ca 0.29 -0.11 -0.08 0.00 0.13 0.00 0.00 57.88 58.11 1wj4 h LEU 69 Cb 0.27 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1wj4 h LEU 69 CO -0.23 0.61 -0.18 0.58 -0.13 0.00 0.00 178.44 179.09 1wj4 h VAL 70 N 0.36 1.33 -0.14 1.05 2.07 -0.72 -2.77 116.25 117.43 1wj4 h VAL 70 Ca 0.06 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1wj4 h VAL 70 Cb 0.57 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1wj4 h VAL 70 CO 0.04 0.40 -0.03 0.11 0.02 0.00 0.00 177.57 178.11 1wj4 h LYS 71 N 0.13 0.20 0.46 1.57 1.57 0.11 0.52 116.57 121.12 1wj4 h LYS 71 Ca 0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wj4 h LYS 71 Cb 0.72 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1wj4 h LYS 71 CO 0.05 0.25 -0.25 1.25 -0.57 0.00 0.00 179.45 180.17 1wj4 h HIS 72 N 0.20 -0.66 -0.78 -1.35 2.76 -0.85 -1.85 115.15 112.61 1wj4 h HIS 72 Ca 0.05 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.29 1wj4 h HIS 72 Cb 0.19 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 1wj4 h HIS 72 CO 0.00 -0.39 0.51 -0.39 -1.30 0.00 0.00 177.93 176.36 1wj4 h VAL 73 N -0.66 0.99 -0.80 5.26 -1.51 -1.35 -0.75 116.25 117.43 1wj4 h VAL 73 Ca -0.06 -0.27 0.17 0.00 -1.23 0.00 0.00 66.70 65.31 1wj4 h VAL 73 Cb 0.52 0.14 -0.11 0.00 -2.13 0.00 0.00 31.29 29.71 1wj4 h VAL 73 CO 0.08 0.14 0.29 -0.61 -1.23 0.00 0.00 177.57 176.25 1wj4 h GLN 74 N 0.78 0.37 0.00 5.19 4.15 -0.59 0.84 115.11 125.86 1wj4 h GLN 74 Ca 0.35 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 1wj4 h GLN 74 Cb 0.34 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1wj4 h GLN 74 CO -0.13 0.24 -0.09 0.77 -1.93 0.00 0.00 178.83 177.70 1wj4 h SER 75 N 0.38 0.00 0.22 -0.69 0.02 -0.32 -3.02 113.55 110.15 1wj4 h SER 75 Ca 0.46 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.30 1wj4 h SER 75 Cb 0.79 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1wj4 h SER 75 CO -0.48 0.09 -0.42 0.11 -1.14 0.00 0.00 176.83 174.99 1wj4 h LYS 76 N 0.00 0.26 0.00 3.45 1.79 0.14 -3.46 116.57 118.74 1wj4 h LYS 76 Ca -0.00 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1wj4 h LYS 76 Cb 0.93 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1wj4 h LYS 76 CO 0.01 0.64 0.00 0.41 -1.08 0.00 0.00 179.45 179.43 1wj4 n GLY 77 N -0.15 0.57 3.15 3.86 0.00 -0.12 -5.09 105.19 107.42 1wj4 n GLY 77 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.10 -1.62 0.01 1.61 1.51 -1.11 -5.01 117.35 112.64 1wj4 s TYR 78 Ca 0.00 0.86 -0.30 0.00 -1.01 0.00 0.00 57.07 56.61 1wj4 s TYR 78 Cb 0.00 0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 42.09 1wj4 s TYR 78 CO 0.00 -0.96 1.19 -1.25 -1.11 0.00 0.00 175.55 173.42 1wj4 s PRO 79 N 2.72 4.40 0.19 -1.71 0.04 -1.26 -3.24 135.00 136.14 1wj4 s PRO 79 Ca 0.13 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 1wj4 s PRO 79 Cb -0.08 -3.45 0.13 0.00 0.04 0.00 0.00 34.50 31.13 1wj4 s PRO 79 CO -0.23 -0.34 1.58 -0.97 0.04 0.00 0.00 177.00 177.08 1wj4 h ASN 80 N 7.12 -1.25 -1.17 6.66 -1.24 -1.88 1.52 115.58 125.35 1wj4 h ASN 80 Ca -0.38 0.24 0.34 0.00 0.71 0.00 0.00 56.30 57.21 1wj4 h ASN 80 Cb 1.19 0.62 -0.05 0.00 0.73 0.00 0.00 38.32 40.81 1wj4 h ASN 80 CO 0.84 -0.31 1.10 1.05 -1.29 0.00 0.00 177.43 178.82 1wj4 h GLU 81 N -0.15 0.00 0.00 6.67 4.11 -2.00 -3.02 114.58 120.19 1wj4 h GLU 81 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 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 -0.72 0.00 0.00 0.54 0.07 0.00 0.00 179.01 178.90 1wj4 n ARG 82 N -3.58 0.00 -3.36 1.06 1.74 0.48 -4.79 116.66 108.21 1wj4 n ARG 82 Ca 0.26 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.01 1wj4 n ARG 82 Cb 1.46 -0.11 -0.06 0.00 -1.02 0.00 0.00 32.46 32.74 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 -0.22 3.43 0.29 -1.55 0.40 0.13 -0.65 117.98 119.80 1wj4 s PHE 83 Ca 0.00 0.96 0.11 0.00 -0.60 0.00 0.00 56.93 57.39 1wj4 s PHE 83 Cb 0.00 -2.32 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 1wj4 s PHE 83 CO 0.00 0.25 -0.13 -1.83 0.70 0.00 0.00 175.22 174.21 1wj4 s GLU 84 N -2.77 1.86 -0.14 0.44 -1.05 0.42 -3.57 118.70 113.90 1wj4 s GLU 84 Ca 0.48 -1.71 -0.03 0.00 -0.15 0.00 0.00 54.97 53.55 1wj4 s GLU 84 Cb -0.11 -1.86 -0.03 0.00 -0.44 0.00 0.00 34.13 31.69 1wj4 s GLU 84 CO 0.20 0.30 -0.02 -0.51 0.95 0.00 0.00 175.26 176.18 1wj4 s LEU 85 N -3.57 3.35 0.42 1.83 1.02 -1.26 0.22 118.68 120.70 1wj4 s LEU 85 Ca 0.31 -0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.45 1wj4 s LEU 85 Cb -0.04 -1.80 -0.05 0.00 0.02 0.00 0.00 46.19 44.32 1wj4 s LEU 85 CO 0.17 0.22 0.03 -0.76 0.02 0.00 0.00 176.35 176.02 1wj4 s LEU 86 N 0.05 2.51 0.33 1.79 1.43 0.14 -3.08 118.68 121.85 1wj4 s LEU 86 Ca 0.01 -1.48 0.10 0.00 -1.03 0.00 0.00 54.13 51.73 1wj4 s LEU 86 Cb -0.13 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 1wj4 s LEU 86 CO 0.02 -0.63 -0.07 0.42 0.23 0.00 0.00 176.35 176.32 1wj4 s THR 87 N -2.91 2.46 1.28 5.49 -4.23 -1.06 0.86 115.64 117.53 1wj4 s THR 87 Ca 0.26 -2.15 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 1wj4 s THR 87 Cb 0.07 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.58 1wj4 s THR 87 CO 0.13 -0.24 0.98 0.20 -0.54 0.00 0.00 174.62 175.16 1wj4 s ASN 88 N -3.63 0.04 0.07 3.99 -0.87 -1.03 -4.08 114.94 109.43 1wj4 s ASN 88 Ca 0.33 1.18 -0.16 0.00 -1.57 0.00 0.00 52.86 52.64 1wj4 s ASN 88 Cb 0.00 -1.78 -0.09 0.00 -0.02 0.00 0.00 41.25 39.36 1wj4 s ASN 88 CO 0.17 -4.73 0.36 2.22 -2.57 0.00 0.00 177.10 172.55 1wj4 n PHE 89 N -5.24 -0.05 -0.03 2.20 1.16 -1.26 -3.10 117.46 111.14 1wj4 n PHE 89 Ca 0.07 0.51 -0.13 0.00 -1.87 0.00 0.00 57.45 56.03 1wj4 n PHE 89 Cb 0.57 -1.02 -0.11 0.00 -1.61 0.00 0.00 39.48 37.31 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 1wj4 h PRO 90 N 0.86 -0.03 0.00 3.97 0.13 -2.05 -3.47 132.00 131.41 1wj4 h PRO 90 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1wj4 h PRO 90 Cb 0.73 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1wj4 h PRO 90 CO 0.30 0.66 0.00 0.54 -0.23 0.00 0.00 178.00 179.27 1wj4 n ARG 91 N -4.75 0.00 -3.18 0.86 5.12 -1.18 -5.04 116.66 108.49 1wj4 n ARG 91 Ca -0.09 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.44 1wj4 n ARG 91 Cb 0.35 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.58 1wj4 n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1wj4 s ARG 92 N 0.00 4.21 -0.63 5.56 0.52 -1.26 -4.89 118.95 122.47 1wj4 s ARG 92 Ca 0.00 0.53 -0.23 0.00 -0.52 0.00 0.00 55.73 55.51 1wj4 s ARG 92 Cb 0.00 -3.56 0.06 0.00 0.52 0.00 0.00 34.95 31.97 1wj4 s ARG 92 CO 0.00 -0.18 0.98 0.15 0.02 0.00 0.00 175.30 176.28 1wj4 s LYS 93 N 1.71 3.18 -0.72 3.54 1.02 -1.26 -2.55 119.74 124.66 1wj4 s LYS 93 Ca 0.27 -0.61 -0.26 0.00 0.02 0.00 0.00 55.97 55.39 1wj4 s LYS 93 Cb -0.16 -4.17 -0.09 0.00 -0.52 0.00 0.00 37.83 32.89 1wj4 s LYS 93 CO 0.10 -1.74 2.28 -0.51 -0.92 0.00 0.00 175.35 174.56 1wj4 s LEU 94 N 4.17 3.09 0.02 3.17 1.43 -1.18 -3.38 118.68 126.01 1wj4 s LEU 94 Ca 0.26 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1wj4 s LEU 94 Cb -0.15 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1wj4 s LEU 94 CO 0.13 -3.30 0.00 -1.20 0.23 0.00 0.00 176.35 172.21 1wj4 n SER 95 N 16.64 -0.21 -0.37 2.29 7.64 -1.26 -4.76 113.62 133.60 1wj4 n SER 95 Ca 0.41 0.33 -0.07 0.00 1.01 0.00 0.00 58.87 60.55 1wj4 n SER 95 Cb 0.48 0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 64.14 1wj4 n SER 95 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1wj4 h HIS 96 N 0.00 -1.47 0.00 1.43 2.07 -2.00 -2.61 115.15 112.57 1wj4 h HIS 96 Ca 0.00 0.11 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 1wj4 h HIS 96 Cb 0.00 0.77 0.00 0.00 2.57 0.00 0.00 27.41 30.75 1wj4 h HIS 96 CO 0.00 -0.40 0.00 1.47 -3.07 0.00 0.00 177.93 175.93 1wj4 n LEU 97 N -5.37 0.00 0.00 6.12 -0.00 -1.26 -4.98 117.00 111.51 1wj4 n LEU 97 Ca 0.05 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1wj4 n LEU 97 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1wj4 n LEU 97 CO -0.12 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.74 1wj4 n ASP 98 N -0.69 0.00 -0.07 1.45 9.92 -0.99 -5.02 116.55 121.15 1wj4 n ASP 98 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 1wj4 n ASP 98 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 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 -0.47 0.00 0.46 1.24 4.02 -1.26 -4.32 117.16 116.82 1wj4 n TYR 99 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 1wj4 n TYR 99 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.53 1wj4 n TYR 99 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1wj4 n ASP 100 N -0.99 2.60 -1.38 7.72 9.92 -1.26 -2.72 116.55 130.43 1wj4 n ASP 100 Ca 0.03 -2.02 0.00 0.00 -0.53 0.00 0.00 54.79 52.27 1wj4 n ASP 100 Cb 0.19 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1wj4 n ASP 100 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1wj4 n ILE 101 N 0.89 0.00 -4.07 0.53 -5.35 -1.26 -4.91 119.36 105.19 1wj4 n ILE 101 Ca 0.16 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.51 1wj4 n ILE 101 Cb 0.42 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.20 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 1.22 0.53 0.58 7.28 -4.23 -1.26 -3.66 115.64 116.09 1wj4 s THR 102 Ca 0.00 -1.13 0.42 0.00 -1.18 0.00 0.00 61.69 59.79 1wj4 s THR 102 Cb 0.00 -0.67 0.61 0.00 1.34 0.00 0.00 72.50 73.78 1wj4 s THR 102 CO 0.00 -0.43 1.46 0.18 -0.54 0.00 0.00 174.62 175.30 1wj4 n LEU 103 N 1.36 0.00 0.13 4.79 4.77 -0.66 0.96 117.00 128.34 1wj4 n LEU 103 Ca -0.22 0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 56.58 1wj4 n LEU 103 Cb 0.55 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1wj4 n LEU 103 CO 0.21 -0.91 0.24 -0.61 -1.33 0.00 0.00 177.39 174.99 1wj4 h GLN 104 N 0.00 -0.40 -0.59 3.23 4.15 -1.83 0.29 115.11 119.96 1wj4 h GLN 104 Ca 0.77 0.03 0.11 0.00 0.77 0.00 0.00 58.65 60.33 1wj4 h GLN 104 Cb 3.48 0.09 -0.12 0.00 0.21 0.00 0.00 27.48 31.14 1wj4 h GLN 104 CO -0.01 -0.18 -0.25 0.93 -1.93 0.00 0.00 178.83 177.39 1wj4 h GLU 105 N -1.07 -0.09 -0.48 1.69 5.08 0.29 1.27 114.58 121.27 1wj4 h GLU 105 Ca -0.04 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1wj4 h GLU 105 Cb 0.41 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1wj4 h GLU 105 CO 0.07 -0.06 0.39 0.00 -1.00 0.00 0.00 179.01 178.41 1wj4 h ALA 106 N 1.29 2.35 -0.20 3.43 0.00 -1.36 -3.45 119.26 121.32 1wj4 h ALA 106 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wj4 h ALA 106 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wj4 h ALA 106 CO -0.65 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 178.37 1wj4 n GLY 107 N -1.58 1.14 0.08 0.00 0.00 0.44 -4.99 105.19 100.28 1wj4 n GLY 107 Ca 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.10 0.43 -4.79 0.99 7.99 0.10 -4.86 117.00 116.77 1wj4 n LEU 108 Ca 0.00 0.19 -0.36 0.00 -0.01 0.00 0.00 56.01 55.83 1wj4 n LEU 108 Cb 0.22 0.19 -0.05 0.00 -0.11 0.00 0.00 43.42 43.68 1wj4 n LEU 108 CO 0.00 0.23 0.71 0.00 -1.51 0.00 0.00 177.39 176.82 1wj4 h PRO 110 N 2.41 0.52 -3.65 0.00 0.13 -1.94 -3.47 132.00 126.01 1wj4 h PRO 110 Ca -0.48 -0.50 -0.37 0.00 -0.87 0.00 0.00 66.00 63.77 1wj4 h PRO 110 Cb 1.21 0.13 -0.36 0.00 0.13 0.00 0.00 31.00 32.11 1wj4 h PRO 110 CO 0.62 1.14 -0.75 1.14 -0.23 0.00 0.00 178.00 179.92 1wj4 s GLN 111 N -3.40 0.33 0.15 0.86 1.03 -0.85 -2.04 119.66 115.73 1wj4 s GLN 111 Ca -0.12 0.13 0.06 0.00 0.04 0.00 0.00 55.36 55.46 1wj4 s GLN 111 Cb 0.05 -0.62 -0.04 0.00 0.03 0.00 0.00 33.01 32.43 1wj4 s GLN 111 CO 0.85 -0.21 -0.12 -2.00 -2.54 0.00 0.00 175.29 171.27 1wj4 s GLU 112 N 1.44 1.09 -0.39 9.60 2.56 -0.21 -4.94 118.70 127.85 1wj4 s GLU 112 Ca -0.04 -1.38 -0.15 0.00 0.00 0.00 0.00 54.97 53.40 1wj4 s GLU 112 Cb -0.13 -0.81 0.01 0.00 2.00 0.00 0.00 34.13 35.19 1wj4 s GLU 112 CO -0.03 0.13 0.31 0.99 -0.56 0.00 0.00 175.26 176.11 1wj4 s THR 113 N -2.78 5.23 0.27 -1.70 2.01 -1.26 -0.94 115.64 116.48 1wj4 s THR 113 Ca 0.14 -0.46 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 1wj4 s THR 113 Cb -0.01 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 1wj4 s THR 113 CO 0.03 -0.24 0.70 -0.69 -0.69 0.00 0.00 174.62 173.72 1wj4 s VAL 114 N 1.78 4.70 -0.21 3.82 1.01 0.52 -2.47 120.40 129.54 1wj4 s VAL 114 Ca 0.07 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 1wj4 s VAL 114 Cb -0.18 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.59 1wj4 s VAL 114 CO 0.11 -0.05 0.08 -0.36 0.00 0.00 0.00 175.10 174.88 1wj4 s PHE 115 N -1.82 0.61 -0.43 5.22 0.08 0.25 -0.27 117.98 121.63 1wj4 s PHE 115 Ca 0.49 -0.70 -0.29 0.00 0.12 0.00 0.00 56.93 56.56 1wj4 s PHE 115 Cb -0.12 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.43 1wj4 s PHE 115 CO 0.19 -0.62 1.33 0.08 -0.10 0.00 0.00 175.22 176.09 1wj4 s VAL 116 N 2.00 4.00 0.39 -0.44 1.01 0.15 0.25 120.40 127.76 1wj4 s VAL 116 Ca 0.03 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.11 1wj4 s VAL 116 Cb -0.16 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.84 1wj4 s VAL 116 CO -0.14 -0.82 0.11 0.00 0.00 0.00 0.00 175.10 174.25 1wj4 s GLN 117 N 4.76 2.14 -0.22 2.72 -2.07 0.60 -2.83 119.66 124.75 1wj4 s GLN 117 Ca 0.57 -1.87 -0.29 0.00 -1.82 0.00 0.00 55.36 51.95 1wj4 s GLN 117 Cb -0.12 -1.91 0.01 0.00 -1.09 0.00 0.00 33.01 29.90 1wj4 s GLN 117 CO 0.32 -0.04 1.06 -1.21 -1.32 0.00 0.00 175.29 174.09 1wj4 s GLU 118 N -3.82 4.26 -0.25 9.60 2.02 -1.26 0.16 118.70 129.41 1wj4 s GLU 118 Ca 0.38 1.39 0.02 0.00 0.02 0.00 0.00 54.97 56.78 1wj4 s GLU 118 Cb 0.04 -3.65 0.33 0.00 0.10 0.00 0.00 34.13 30.95 1wj4 s GLU 118 CO 0.21 -0.63 1.55 0.45 0.02 0.00 0.00 175.26 176.87 1wj4 n SER 119 N 6.31 3.87 0.00 -0.19 2.88 0.17 -4.78 113.62 121.88 1wj4 n SER 119 Ca 0.12 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 1wj4 n SER 119 Cb 0.46 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1wj4 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj4 n GLY 120 N -0.25 -2.25 3.67 0.46 0.00 -1.26 -4.87 105.19 100.69 1wj4 n GLY 120 Ca 0.31 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.07 4.28 0.06 1.61 0.04 -1.26 -4.83 135.00 131.82 1wj4 s PRO 121 Ca 0.00 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1wj4 s PRO 121 Cb 0.00 -3.68 0.04 0.00 0.04 0.00 0.00 34.50 30.90 1wj4 s PRO 121 CO 0.00 -0.60 0.44 -1.12 0.04 0.00 0.00 177.00 175.75 1wj4 s SER 122 N 1.81 -0.31 0.31 6.66 0.01 -1.26 -5.16 113.70 115.75 1wj4 s SER 122 Ca 0.56 -0.00 0.06 0.00 1.31 0.00 0.00 55.95 57.88 1wj4 s SER 122 Cb -0.23 0.45 -0.06 0.00 0.21 0.00 0.00 66.02 66.38 1wj4 s SER 122 CO 0.18 -0.70 -0.03 -0.55 0.41 0.00 0.00 173.24 172.55 1wj4 s SER 123 N -2.10 2.91 0.00 2.44 0.15 -1.26 -4.87 113.70 110.97 1wj4 s SER 123 Ca -0.04 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.36 1wj4 s SER 123 Cb -0.00 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1wj4 s SER 123 CO -0.03 -0.40 0.26 0.61 1.20 0.00 0.00 173.24 174.88