#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj4 s SER 2 N 0.00 -0.08 0.00 1.61 0.01 -1.26 -5.19 113.70 108.79 1wj4 s SER 2 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1wj4 s SER 2 Cb 0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1wj4 s SER 2 CO 0.00 -0.44 0.00 -1.54 0.41 0.00 0.00 173.24 171.67 1wj4 n SER 3 N -0.51 0.00 0.00 2.44 3.41 -1.26 -5.18 113.62 112.52 1wj4 n SER 3 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1wj4 n SER 3 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1wj4 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wj4 n GLY 4 N -0.07 4.08 3.69 5.00 0.00 -1.26 -5.18 105.19 111.45 1wj4 n GLY 4 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1wj4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wj4 s SER 5 N 0.38 -0.14 0.24 1.61 1.04 -1.26 -5.19 113.70 110.38 1wj4 s SER 5 Ca 0.00 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.92 1wj4 s SER 5 Cb 0.00 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1wj4 s SER 5 CO 0.00 -0.66 0.84 -0.44 0.98 0.00 0.00 173.24 173.95 1wj4 s SER 6 N -2.92 -0.19 0.43 7.02 0.01 -1.26 -5.19 113.70 111.60 1wj4 s SER 6 Ca 0.13 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1wj4 s SER 6 Cb 0.01 0.64 -0.02 0.00 0.21 0.00 0.00 66.02 66.86 1wj4 s SER 6 CO -0.00 -1.19 0.13 -0.83 0.41 0.00 0.00 173.24 171.75 1wj4 s GLY 7 N -2.97 2.72 -0.18 3.44 0.00 -1.26 -5.17 107.32 103.90 1wj4 s GLY 7 Ca 0.12 -1.08 -0.31 0.00 0.00 0.00 0.00 44.72 43.45 1wj4 s GLY 7 CO 0.06 -1.87 1.14 -1.08 0.00 0.00 0.00 173.10 171.35 1wj4 s THR 8 N -3.16 0.00 0.51 0.90 -1.32 -1.26 -5.18 115.64 106.13 1wj4 s THR 8 Ca 0.21 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.75 1wj4 s THR 8 Cb 0.02 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1wj4 s THR 8 CO 0.14 0.00 0.44 0.00 -2.21 0.00 0.00 174.62 172.98 1wj4 s ALA 9 N -1.69 4.34 -0.05 11.08 0.00 -1.26 -5.15 121.76 129.03 1wj4 s ALA 9 Ca 0.05 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.16 1wj4 s ALA 9 Cb -0.01 -0.87 0.11 0.00 0.00 0.00 0.00 23.12 22.35 1wj4 s ALA 9 CO -0.04 -0.43 0.94 -0.08 0.00 0.00 0.00 175.76 176.15 1wj4 s THR 10 N -2.68 0.00 0.02 0.00 -1.32 -1.26 -5.18 115.64 105.22 1wj4 s THR 10 Ca 0.41 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.90 1wj4 s THR 10 Cb -0.03 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.95 1wj4 s THR 10 CO 0.25 0.00 -0.04 0.21 -2.21 0.00 0.00 174.62 172.83 1wj4 s ASN 11 N -2.21 0.45 -0.04 8.08 3.84 -1.26 -5.15 114.94 118.65 1wj4 s ASN 11 Ca 0.04 -0.34 -0.31 0.00 0.21 0.00 0.00 52.86 52.46 1wj4 s ASN 11 Cb -0.01 0.03 0.13 0.00 -0.55 0.00 0.00 41.25 40.85 1wj4 s ASN 11 CO -0.07 -0.14 1.31 -1.38 -2.79 0.00 0.00 177.10 174.04 1wj4 s HIS 12 N -0.89 -0.04 -0.01 0.43 -3.43 -1.26 -5.19 115.29 104.90 1wj4 s HIS 12 Ca -0.08 -0.04 -0.29 0.00 -0.80 0.00 0.00 55.06 53.85 1wj4 s HIS 12 Cb -0.06 0.54 0.11 0.00 -1.43 0.00 0.00 32.58 31.73 1wj4 s HIS 12 CO -0.00 -0.22 1.29 -0.65 -2.00 0.00 0.00 174.74 173.15 1wj4 s GLN 13 N -2.34 0.41 0.00 -0.38 -0.21 -1.26 -5.18 119.66 110.69 1wj4 s GLN 13 Ca 0.14 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.28 1wj4 s GLN 13 Cb 0.05 0.13 0.00 0.00 1.00 0.00 0.00 33.01 34.19 1wj4 s GLN 13 CO -0.04 -0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.35 1wj4 n GLY 14 N -0.66 4.12 3.06 3.09 0.00 -1.26 -5.18 105.19 108.36 1wj4 n GLY 14 Ca -0.04 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 1wj4 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wj4 s LEU 15 N 0.00 2.33 0.00 0.99 1.43 -1.26 -5.17 118.68 117.01 1wj4 s LEU 15 Ca 0.00 -0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 1wj4 s LEU 15 Cb 0.00 0.00 0.13 0.00 0.03 0.00 0.00 46.19 46.35 1wj4 s LEU 15 CO 0.00 -0.35 0.59 -0.81 0.23 0.00 0.00 176.35 176.01 1wj4 n PRO 16 N 1.04 -1.34 -3.57 1.29 -0.04 -1.26 -5.11 135.00 126.02 1wj4 n PRO 16 Ca -0.20 -0.92 -0.14 0.00 -0.04 0.00 0.00 63.50 62.20 1wj4 n PRO 16 Cb 0.57 -0.73 -0.06 0.00 -0.04 0.00 0.00 33.50 33.24 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 -1.85 0.49 0.55 0.00 -1.26 -5.14 121.76 111.06 1wj4 s ALA 17 Ca 0.36 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1wj4 s ALA 17 Cb -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1wj4 s ALA 17 CO 0.26 -0.33 0.00 0.28 0.00 0.00 0.00 175.76 175.97 1wj4 n VAL 18 N 1.23 -2.60 0.00 0.00 0.31 -1.26 -5.05 118.33 110.96 1wj4 n VAL 18 Ca -0.15 1.28 0.00 0.00 -0.01 0.00 0.00 64.34 65.46 1wj4 n VAL 18 Cb 0.57 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1wj4 n VAL 18 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1wj4 n ASP 19 N -2.32 0.00 0.00 4.52 2.03 -1.26 -5.11 116.55 114.40 1wj4 n ASP 19 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1wj4 n ASP 19 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1wj4 n ASP 19 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wj4 n SER 20 N 0.00 0.00 -0.06 1.67 2.88 -1.26 -5.08 113.62 111.77 1wj4 n SER 20 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1wj4 n SER 20 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1wj4 n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wj4 n GLU 21 N 0.00 0.41 -1.66 -1.46 4.71 -1.26 -4.97 120.64 116.42 1wj4 n GLU 21 Ca 0.00 0.16 -0.46 0.00 -0.01 0.00 0.00 57.16 56.85 1wj4 n GLU 21 Cb 0.00 -1.22 -0.04 0.00 -1.01 0.00 0.00 31.44 29.17 1wj4 n GLU 21 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1wj4 n ILE 22 N -4.20 0.20 -3.26 -3.67 5.41 -1.26 -4.94 119.36 107.64 1wj4 n ILE 22 Ca -0.11 -0.05 -0.14 0.00 1.00 0.00 0.00 62.75 63.45 1wj4 n ILE 22 Cb 0.41 -1.44 -0.06 0.00 -0.71 0.00 0.00 39.64 37.83 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 0.70 -0.24 -0.41 1.39 1.43 -1.26 -5.07 118.68 115.21 1wj4 s LEU 23 Ca 0.77 -1.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 1wj4 s LEU 23 Cb -0.70 0.80 0.13 0.00 0.03 0.00 0.00 46.19 46.45 1wj4 s LEU 23 CO 0.41 -0.20 0.22 -1.83 0.23 0.00 0.00 176.35 175.18 1wj4 s GLU 24 N 1.18 1.10 -0.37 1.70 -1.05 -1.26 -5.04 118.70 114.97 1wj4 s GLU 24 Ca 0.21 -1.80 0.01 0.00 -0.15 0.00 0.00 54.97 53.24 1wj4 s GLU 24 Cb -0.09 -2.12 0.14 0.00 -0.44 0.00 0.00 34.13 31.62 1wj4 s GLU 24 CO -0.06 -1.15 0.22 -1.64 0.95 0.00 0.00 175.26 173.58 1wj4 s MET 25 N 0.60 0.71 0.46 -4.83 -1.94 -1.26 -5.13 119.30 107.92 1wj4 s MET 25 Ca 0.17 -1.50 -0.21 0.00 -1.71 0.00 0.00 55.69 52.44 1wj4 s MET 25 Cb -0.24 -1.51 -0.09 0.00 2.01 0.00 0.00 34.83 35.01 1wj4 s MET 25 CO -0.02 -1.21 1.04 -1.25 -0.01 0.00 0.00 175.02 173.58 1wj4 s PRO 26 N 0.88 3.89 0.52 2.03 0.04 -1.26 -5.06 135.00 136.05 1wj4 s PRO 26 Ca 0.19 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 1wj4 s PRO 26 Cb -0.22 -2.20 0.12 0.00 0.04 0.00 0.00 34.50 32.25 1wj4 s PRO 26 CO -0.00 -0.36 0.57 -0.35 0.04 0.00 0.00 177.00 176.90 1wj4 n PRO 27 N -0.75 -1.31 -4.49 0.56 -0.04 -1.26 -5.09 135.00 122.62 1wj4 n PRO 27 Ca 0.08 -0.90 -0.20 0.00 -0.04 0.00 0.00 63.50 62.44 1wj4 n PRO 27 Cb 0.52 -0.71 -0.15 0.00 -0.04 0.00 0.00 33.50 33.12 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 -4.27 0.95 -0.04 0.54 -1.05 -1.26 -5.14 118.70 108.43 1wj4 s GLU 28 Ca 0.35 -0.39 0.06 0.00 -0.15 0.00 0.00 54.97 54.83 1wj4 s GLU 28 Cb -0.02 -0.91 -0.01 0.00 -0.44 0.00 0.00 34.13 32.75 1wj4 s GLU 28 CO 0.25 0.22 -0.23 0.15 0.95 0.00 0.00 175.26 176.60 1wj4 s LYS 29 N -0.17 2.19 0.00 -4.83 1.02 -1.26 -5.10 119.74 111.59 1wj4 s LYS 29 Ca 0.03 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1wj4 s LYS 29 Cb -0.05 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1wj4 s LYS 29 CO -0.00 0.39 0.00 0.00 -0.92 0.00 0.00 175.35 174.81 1wj4 n ALA 30 N 2.86 0.00 -3.58 5.17 0.00 -1.26 -5.18 120.51 118.52 1wj4 n ALA 30 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1wj4 n ALA 30 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1wj4 n ALA 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wj4 s ASP 31 N 0.00 -0.28 0.00 0.00 1.01 -1.26 -5.12 116.67 111.02 1wj4 s ASP 31 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.51 1wj4 s ASP 31 Cb 0.00 0.24 0.00 0.00 1.01 0.00 0.00 42.92 44.17 1wj4 s ASP 31 CO 0.00 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1wj4 n GLY 32 N 0.49 -0.93 0.00 0.21 0.00 -1.26 -5.19 105.19 98.52 1wj4 n GLY 32 Ca -0.07 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.17 1.61 0.24 -1.26 -4.94 118.33 110.81 1wj4 n VAL 33 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1wj4 n VAL 33 Cb 0.00 -0.20 0.01 0.00 -1.47 0.00 0.00 33.84 32.17 1wj4 n VAL 33 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1wj4 n VAL 34 N -0.08 -3.84 -2.99 3.34 0.31 -1.26 -5.00 118.33 108.82 1wj4 n VAL 34 Ca 0.00 0.63 0.03 0.00 -0.01 0.00 0.00 64.34 64.99 1wj4 n VAL 34 Cb 0.00 -3.71 0.00 0.00 -0.91 0.00 0.00 33.84 29.22 1wj4 n VAL 34 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1wj4 s GLU 35 N -1.33 0.35 0.00 5.55 2.56 -1.26 -5.10 118.70 119.47 1wj4 s GLU 35 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.02 1wj4 s GLU 35 Cb -0.01 0.07 0.00 0.00 2.00 0.00 0.00 34.13 36.19 1wj4 s GLU 35 CO 0.25 -0.55 0.00 0.41 -0.56 0.00 0.00 175.26 174.81 1wj4 n GLY 36 N 4.32 -1.35 3.54 -1.50 0.00 -1.26 -5.12 105.19 103.82 1wj4 n GLY 36 Ca 0.08 0.92 -0.43 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 4.30 -0.27 -0.61 1.01 -1.26 -4.96 121.20 119.41 1wj4 s ILE 37 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 1wj4 s ILE 37 Cb 0.00 -4.57 0.11 0.00 0.01 0.00 0.00 42.46 38.00 1wj4 s ILE 37 CO 0.00 -1.13 0.19 -1.81 0.00 0.00 0.00 174.94 172.18 1wj4 s ASP 38 N 2.78 2.70 0.22 3.58 1.01 -1.26 -5.12 116.67 120.59 1wj4 s ASP 38 Ca 0.35 -0.99 -0.28 0.00 0.71 0.00 0.00 52.55 52.34 1wj4 s ASP 38 Cb -0.11 -0.02 -0.17 0.00 1.01 0.00 0.00 42.92 43.64 1wj4 s ASP 38 CO 0.22 -0.41 0.53 0.55 0.21 0.00 0.00 175.17 176.28 1wj4 n VAL 39 N 5.28 1.92 -3.15 -1.27 3.14 -1.26 -4.96 118.33 118.03 1wj4 n VAL 39 Ca -0.05 -0.50 0.05 0.00 -2.96 0.00 0.00 64.34 60.88 1wj4 n VAL 39 Cb 0.44 -0.09 -0.01 0.00 -1.06 0.00 0.00 33.84 33.13 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1wj4 s ASN 40 N -0.96 -1.04 0.55 6.55 3.84 -1.26 -5.15 114.94 117.47 1wj4 s ASN 40 Ca 0.63 0.52 0.00 0.00 0.21 0.00 0.00 52.86 54.22 1wj4 s ASN 40 Cb -0.89 1.82 0.00 0.00 -0.55 0.00 0.00 41.25 41.63 1wj4 s ASN 40 CO 0.57 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 175.29 1wj4 n GLY 41 N 5.41 -1.51 3.67 1.21 0.00 -1.26 -4.67 105.19 108.04 1wj4 n GLY 41 Ca -0.01 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.53 4.25 0.14 1.61 0.04 -1.26 -5.02 135.00 134.23 1wj4 s PRO 42 Ca 0.00 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1wj4 s PRO 42 Cb 0.00 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 1wj4 s PRO 42 CO 0.00 -0.66 0.28 0.21 0.04 0.00 0.00 177.00 176.87 1wj4 s LYS 43 N 3.25 3.44 -0.13 4.56 2.20 -1.26 -4.19 119.74 127.61 1wj4 s LYS 43 Ca 0.56 -0.56 -0.16 0.00 -0.36 0.00 0.00 55.97 55.44 1wj4 s LYS 43 Cb -0.23 -2.97 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1wj4 s LYS 43 CO 0.17 0.53 0.38 0.00 -0.36 0.00 0.00 175.35 176.07 1wj4 s ALA 44 N -1.71 3.55 -0.24 3.13 0.00 0.53 -4.88 121.76 122.15 1wj4 s ALA 44 Ca 0.35 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1wj4 s ALA 44 Cb -0.11 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 1wj4 s ALA 44 CO 0.28 0.09 0.24 -0.65 0.00 0.00 0.00 175.76 175.72 1wj4 s GLN 45 N 0.40 4.08 -0.00 0.00 -0.21 -0.90 0.07 119.66 123.10 1wj4 s GLN 45 Ca 0.21 -0.13 0.05 0.00 0.02 0.00 0.00 55.36 55.51 1wj4 s GLN 45 Cb -0.14 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.30 1wj4 s GLN 45 CO 0.08 -0.01 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.56 1wj4 s LEU 46 N 1.24 2.06 -0.21 2.90 2.01 -0.25 -1.27 118.68 125.15 1wj4 s LEU 46 Ca 0.11 -0.34 -0.03 0.00 0.01 0.00 0.00 54.13 53.88 1wj4 s LEU 46 Cb -0.14 -0.86 -0.00 0.00 0.01 0.00 0.00 46.19 45.20 1wj4 s LEU 46 CO 0.06 0.19 -0.07 -0.32 1.01 0.00 0.00 176.35 177.22 1wj4 s MET 47 N -0.54 3.27 -0.35 1.70 -2.45 -0.91 0.58 119.30 120.61 1wj4 s MET 47 Ca 0.06 -0.68 -0.19 0.00 -1.25 0.00 0.00 55.69 53.63 1wj4 s MET 47 Cb -0.07 -2.92 -0.00 0.00 1.25 0.00 0.00 34.83 33.08 1wj4 s MET 47 CO -0.00 -0.21 0.56 -0.51 1.05 0.00 0.00 175.02 175.91 1wj4 s LEU 48 N 1.44 4.29 -0.46 4.11 2.01 0.58 0.25 118.68 130.90 1wj4 s LEU 48 Ca 0.05 0.08 -0.10 0.00 0.01 0.00 0.00 54.13 54.17 1wj4 s LEU 48 Cb -0.14 -2.67 0.10 0.00 0.01 0.00 0.00 46.19 43.49 1wj4 s LEU 48 CO -0.05 -0.51 0.33 -0.13 1.01 0.00 0.00 176.35 177.00 1wj4 s ARG 49 N 2.50 2.62 0.74 1.70 1.81 -0.33 0.44 118.95 128.44 1wj4 s ARG 49 Ca 0.21 -1.61 -0.11 0.00 -1.72 0.00 0.00 55.73 52.50 1wj4 s ARG 49 Cb -0.15 -3.93 0.04 0.00 -0.45 0.00 0.00 34.95 30.46 1wj4 s ARG 49 CO 0.13 -1.10 1.08 0.71 -0.68 0.00 0.00 175.30 175.44 1wj4 s TYR 50 N 1.44 2.72 0.19 -0.53 2.02 -0.33 0.12 117.35 122.97 1wj4 s TYR 50 Ca 0.04 1.52 0.04 0.00 -0.37 0.00 0.00 57.07 58.30 1wj4 s TYR 50 Cb -0.25 -3.02 0.07 0.00 -0.40 0.00 0.00 41.96 38.36 1wj4 s TYR 50 CO 0.01 -1.64 1.43 -1.00 -1.57 0.00 0.00 175.55 172.78 1wj4 h PRO 51 N -0.92 0.18 -0.89 -1.71 0.13 -1.81 -3.07 132.00 123.91 1wj4 h PRO 51 Ca -0.44 -0.18 0.26 0.00 -0.87 0.00 0.00 66.00 64.77 1wj4 h PRO 51 Cb 1.23 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1wj4 h PRO 51 CO 0.53 0.89 0.69 0.22 -0.23 0.00 0.00 178.00 180.10 1wj4 h ASP 52 N 0.11 0.00 0.00 1.44 1.82 -1.93 -3.44 116.42 114.43 1wj4 h ASP 52 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1wj4 h ASP 52 Cb 1.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.40 1wj4 h ASP 52 CO 0.12 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.36 1wj4 n GLY 53 N -1.69 1.01 3.85 -0.78 0.00 -1.16 -5.11 105.19 101.32 1wj4 n GLY 53 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1wj4 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj4 s LYS 54 N 0.00 3.05 0.15 1.61 1.02 -1.26 -4.85 119.74 119.46 1wj4 s LYS 54 Ca 0.00 0.72 -0.02 0.00 0.02 0.00 0.00 55.97 56.69 1wj4 s LYS 54 Cb 0.00 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1wj4 s LYS 54 CO 0.00 -0.96 0.11 -0.98 -0.92 0.00 0.00 175.35 172.61 1wj4 s ARG 55 N -5.18 1.03 -0.10 1.68 1.70 -1.26 -1.19 118.95 115.63 1wj4 s ARG 55 Ca 0.57 -1.44 -0.19 0.00 -0.47 0.00 0.00 55.73 54.21 1wj4 s ARG 55 Cb -0.12 0.27 0.04 0.00 -0.57 0.00 0.00 34.95 34.57 1wj4 s ARG 55 CO 0.54 -0.32 0.46 -2.00 -1.08 0.00 0.00 175.30 172.90 1wj4 s GLU 56 N -4.06 0.69 0.05 3.89 2.12 0.17 -4.96 118.70 116.60 1wj4 s GLU 56 Ca 0.26 0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.94 1wj4 s GLU 56 Cb 0.07 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 1wj4 s GLU 56 CO 0.04 -0.15 0.01 -1.14 -0.54 0.00 0.00 175.26 173.48 1wj4 s GLN 57 N -0.53 2.70 0.21 4.30 -0.44 -1.26 0.21 119.66 124.85 1wj4 s GLN 57 Ca -0.06 -0.71 -0.01 0.00 -2.50 0.00 0.00 55.36 52.07 1wj4 s GLN 57 Cb -0.03 -2.62 -0.04 0.00 -1.64 0.00 0.00 33.01 28.67 1wj4 s GLN 57 CO 0.04 0.58 0.13 0.96 0.50 0.00 0.00 175.29 177.49 1wj4 s ILE 58 N -1.22 0.07 -0.24 -2.34 -4.36 0.20 -4.94 121.20 108.37 1wj4 s ILE 58 Ca 0.23 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.59 1wj4 s ILE 58 Cb -0.12 -2.52 0.08 0.00 1.25 0.00 0.00 42.46 41.16 1wj4 s ILE 58 CO 0.15 -0.00 0.09 -0.89 0.24 0.00 0.00 174.94 174.53 1wj4 s THR 59 N -4.11 0.27 0.32 8.37 2.01 -1.26 -1.09 115.64 120.15 1wj4 s THR 59 Ca 0.39 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.76 1wj4 s THR 59 Cb 0.07 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1wj4 s THR 59 CO 0.12 -0.48 0.22 -0.76 -0.69 0.00 0.00 174.62 173.03 1wj4 s LEU 60 N 1.95 3.51 0.32 4.42 2.01 0.11 -4.86 118.68 126.13 1wj4 s LEU 60 Ca 0.05 -0.55 -0.28 0.00 0.01 0.00 0.00 54.13 53.36 1wj4 s LEU 60 Cb -0.17 -2.06 -0.09 0.00 0.01 0.00 0.00 46.19 43.88 1wj4 s LEU 60 CO -0.21 -0.27 1.07 -2.16 1.01 0.00 0.00 176.35 175.79 1wj4 s PRO 61 N -3.91 4.49 0.24 1.29 0.04 -1.26 0.20 135.00 136.09 1wj4 s PRO 61 Ca 0.38 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 1wj4 s PRO 61 Cb -0.05 -2.97 0.33 0.00 0.04 0.00 0.00 34.50 31.85 1wj4 s PRO 61 CO 0.25 0.11 1.59 0.93 0.04 0.00 0.00 177.00 179.92 1wj4 h GLU 62 N 3.38 -0.01 -2.42 4.56 4.39 -1.90 0.49 114.58 123.07 1wj4 h GLU 62 Ca -0.47 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.48 1wj4 h GLU 62 Cb 1.21 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.68 1wj4 h GLU 62 CO 0.65 -0.01 1.73 0.00 -1.16 0.00 0.00 179.01 180.23 1wj4 n GLN 63 N -5.53 4.65 -4.37 2.33 10.64 -1.26 -2.95 117.38 120.89 1wj4 n GLN 63 Ca 0.11 -3.80 -0.34 0.00 -1.83 0.00 0.00 57.00 51.15 1wj4 n GLN 63 Cb 0.41 -2.52 -0.14 0.00 -0.86 0.00 0.00 30.24 27.13 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 -2.42 2.67 -0.10 2.61 0.00 0.16 -4.89 121.76 119.79 1wj4 s ALA 64 Ca 0.49 -1.03 -0.37 0.00 0.00 0.00 0.00 51.96 51.05 1wj4 s ALA 64 Cb 0.21 -1.40 -0.14 0.00 0.00 0.00 0.00 23.12 21.79 1wj4 s ALA 64 CO -0.13 -0.07 1.69 1.63 0.00 0.00 0.00 175.76 178.88 1wj4 n LYS 65 N 4.12 1.58 -0.55 0.00 4.76 -1.25 -0.79 118.16 126.05 1wj4 n LYS 65 Ca -0.18 0.58 0.44 0.00 -2.87 0.00 0.00 58.31 56.27 1wj4 n LYS 65 Cb 0.52 -2.31 0.71 0.00 -1.84 0.00 0.00 35.03 32.10 1wj4 n LYS 65 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1wj4 n LEU 66 N 5.00 0.12 -0.31 -0.35 -0.00 -0.87 0.33 117.00 120.93 1wj4 n LEU 66 Ca 0.23 1.18 0.18 0.00 -0.00 0.00 0.00 56.01 57.60 1wj4 n LEU 66 Cb 0.21 -0.58 0.45 0.00 -0.00 0.00 0.00 43.42 43.49 1wj4 n LEU 66 CO 0.73 -1.25 1.21 0.25 -0.00 0.00 0.00 177.39 178.33 1wj4 h LEU 67 N 0.00 0.55 -0.54 -1.96 6.46 -1.85 0.14 115.31 118.11 1wj4 h LEU 67 Ca 0.87 0.07 0.11 0.00 -0.12 0.00 0.00 57.88 58.81 1wj4 h LEU 67 Cb 3.09 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 42.89 1wj4 h LEU 67 CO -0.27 0.18 -0.20 0.00 -0.62 0.00 0.00 178.44 177.52 1wj4 h ALA 68 N 1.62 0.23 -0.49 1.25 0.00 0.51 3.59 119.26 125.97 1wj4 h ALA 68 Ca 0.55 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.54 1wj4 h ALA 68 Cb 1.18 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1wj4 h ALA 68 CO -0.28 -0.51 -0.12 1.25 0.00 0.00 0.00 179.25 179.58 1wj4 h LEU 69 N -0.07 0.90 -0.72 0.00 5.85 -0.90 -0.15 115.31 120.22 1wj4 h LEU 69 Ca 0.25 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1wj4 h LEU 69 Cb 0.46 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1wj4 h LEU 69 CO -0.59 1.03 -0.07 0.58 -0.34 0.00 0.00 178.44 179.05 1wj4 h VAL 70 N 0.81 1.26 -0.47 1.05 2.07 0.55 -2.50 116.25 119.02 1wj4 h VAL 70 Ca 0.13 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1wj4 h VAL 70 Cb 0.65 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1wj4 h VAL 70 CO 0.05 0.41 -0.12 0.11 0.02 0.00 0.00 177.57 178.04 1wj4 h LYS 71 N 0.82 0.87 0.00 1.57 1.57 0.69 -1.53 116.57 120.56 1wj4 h LYS 71 Ca 0.14 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1wj4 h LYS 71 Cb 0.59 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1wj4 h LYS 71 CO 0.04 0.94 0.00 1.58 -0.57 0.00 0.00 179.45 181.44 1wj4 n HIS 72 N -4.15 0.00 -0.10 -1.35 -0.00 -0.10 -1.59 115.22 107.93 1wj4 n HIS 72 Ca 0.01 0.00 0.26 0.00 0.46 0.00 0.00 57.72 58.46 1wj4 n HIS 72 Cb 0.38 -0.47 0.71 0.00 -0.12 0.00 0.00 29.99 30.50 1wj4 n HIS 72 CO 0.00 0.00 0.00 -0.39 0.46 0.00 0.00 176.34 176.41 1wj4 h VAL 73 N 0.00 0.40 -0.41 3.57 -1.51 -1.51 0.31 116.25 117.09 1wj4 h VAL 73 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.52 1wj4 h VAL 73 Cb 0.00 0.51 -0.04 0.00 -2.13 0.00 0.00 31.29 29.63 1wj4 h VAL 73 CO 0.00 0.00 0.16 -0.61 -1.23 0.00 0.00 177.57 175.89 1wj4 h GLN 74 N 0.00 0.33 0.00 5.19 4.15 -0.26 0.19 115.11 124.71 1wj4 h GLN 74 Ca 0.36 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1wj4 h GLN 74 Cb 1.68 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.30 1wj4 h GLN 74 CO -0.00 0.22 0.00 0.45 -1.93 0.00 0.00 178.83 177.56 1wj4 n SER 75 N -4.98 0.00 0.18 -0.69 2.88 0.11 -2.30 113.62 108.81 1wj4 n SER 75 Ca 0.02 0.27 0.12 0.00 -1.33 0.00 0.00 58.87 57.95 1wj4 n SER 75 Cb 0.14 -0.41 0.16 0.00 -0.75 0.00 0.00 64.21 63.35 1wj4 n SER 75 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1wj4 h LYS 76 N 0.00 0.00 0.00 -1.46 1.79 -0.26 -3.46 116.57 113.18 1wj4 h LYS 76 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wj4 h LYS 76 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1wj4 h LYS 76 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1wj4 n GLY 77 N 1.15 1.51 3.01 3.86 0.00 -0.87 -5.08 105.19 108.77 1wj4 n GLY 77 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.43 0.41 1.61 1.51 -0.53 -5.02 117.35 116.76 1wj4 s TYR 78 Ca 0.00 -2.98 -0.24 0.00 -1.01 0.00 0.00 57.07 52.84 1wj4 s TYR 78 Cb 0.00 -2.95 -0.09 0.00 -0.11 0.00 0.00 41.96 38.81 1wj4 s TYR 78 CO 0.00 -0.84 1.05 -1.25 -1.11 0.00 0.00 175.55 173.40 1wj4 s PRO 79 N 0.22 4.12 0.56 -1.71 0.04 -1.25 -2.99 135.00 134.00 1wj4 s PRO 79 Ca 0.14 1.51 0.29 0.00 0.04 0.00 0.00 61.00 62.98 1wj4 s PRO 79 Cb -0.23 -2.50 1.47 0.00 0.04 0.00 0.00 34.50 33.28 1wj4 s PRO 79 CO -0.03 -0.18 1.92 -0.97 0.04 0.00 0.00 177.00 177.78 1wj4 h ASN 80 N 2.40 0.00 0.00 6.66 -1.24 -1.87 1.77 115.58 123.30 1wj4 h ASN 80 Ca -0.48 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.53 1wj4 h ASN 80 Cb 1.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 1wj4 h ASN 80 CO 0.62 0.00 0.00 -1.84 -1.29 0.00 0.00 177.43 174.92 1wj4 n GLU 81 N -4.01 0.95 -3.68 6.67 0.28 -1.26 -4.66 120.64 114.94 1wj4 n GLU 81 Ca 0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.02 1wj4 n GLU 81 Cb 0.73 -1.21 -0.10 0.00 1.43 0.00 0.00 31.44 32.29 1wj4 n GLU 81 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wj4 s ARG 82 N -2.00 0.45 0.25 3.44 0.52 0.60 -4.82 118.95 117.40 1wj4 s ARG 82 Ca 0.19 0.91 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 1wj4 s ARG 82 Cb 0.09 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1wj4 s ARG 82 CO 0.15 -0.17 0.00 1.19 0.02 0.00 0.00 175.30 176.49 1wj4 n PHE 83 N 4.41 -1.61 -4.16 -0.53 3.72 -1.26 -3.81 117.46 114.22 1wj4 n PHE 83 Ca -0.21 0.89 -0.16 0.00 -0.05 0.00 0.00 57.45 57.92 1wj4 n PHE 83 Cb 0.55 -1.49 -0.13 0.00 -0.94 0.00 0.00 39.48 37.48 1wj4 n PHE 83 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1wj4 s GLU 84 N -3.70 0.61 -0.25 -1.08 -1.05 0.48 -4.57 118.70 109.13 1wj4 s GLU 84 Ca 0.00 -0.62 -0.18 0.00 -0.15 0.00 0.00 54.97 54.02 1wj4 s GLU 84 Cb 0.00 -0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 33.17 1wj4 s GLU 84 CO 0.00 0.11 0.50 -0.51 0.95 0.00 0.00 175.26 176.31 1wj4 s LEU 85 N -1.12 4.07 0.47 1.83 1.43 -1.25 0.62 118.68 124.72 1wj4 s LEU 85 Ca -0.04 0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.65 1wj4 s LEU 85 Cb -0.07 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 1wj4 s LEU 85 CO 0.01 -0.25 0.33 -0.76 0.23 0.00 0.00 176.35 175.91 1wj4 s LEU 86 N 2.16 3.05 0.33 1.79 1.43 0.46 -0.75 118.68 127.14 1wj4 s LEU 86 Ca 0.21 -1.03 0.08 0.00 -1.03 0.00 0.00 54.13 52.36 1wj4 s LEU 86 Cb -0.16 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 1wj4 s LEU 86 CO 0.09 -0.80 -0.06 0.42 0.23 0.00 0.00 176.35 176.22 1wj4 s THR 87 N -2.62 1.99 1.18 5.49 -4.23 -0.98 0.78 115.64 117.25 1wj4 s THR 87 Ca 0.41 -2.15 -0.15 0.00 -1.18 0.00 0.00 61.69 58.61 1wj4 s THR 87 Cb -0.01 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.47 1wj4 s THR 87 CO 0.24 -0.19 1.03 0.20 -0.54 0.00 0.00 174.62 175.36 1wj4 s ASN 88 N -3.57 0.93 0.20 3.99 0.02 -0.88 -4.31 114.94 111.32 1wj4 s ASN 88 Ca 0.32 1.17 -0.21 0.00 -1.02 0.00 0.00 52.86 53.12 1wj4 s ASN 88 Cb 0.04 -1.79 -0.13 0.00 0.02 0.00 0.00 41.25 39.39 1wj4 s ASN 88 CO 0.15 -4.18 0.33 2.22 0.02 0.00 0.00 177.10 175.64 1wj4 n PHE 89 N -4.87 -0.69 0.01 2.20 -1.74 -1.26 -2.72 117.46 108.40 1wj4 n PHE 89 Ca 0.06 0.71 -0.19 0.00 -0.56 0.00 0.00 57.45 57.47 1wj4 n PHE 89 Cb 0.57 -1.52 -0.09 0.00 1.52 0.00 0.00 39.48 39.95 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1wj4 h PRO 90 N 0.67 0.71 0.00 3.97 0.13 -2.05 -3.50 132.00 131.92 1wj4 h PRO 90 Ca -0.24 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1wj4 h PRO 90 Cb 1.15 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wj4 h PRO 90 CO 0.43 1.28 0.00 0.54 -0.23 0.00 0.00 178.00 180.02 1wj4 n ARG 91 N -3.93 -0.84 0.00 0.86 5.12 -1.10 -5.06 116.66 111.71 1wj4 n ARG 91 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1wj4 n ARG 91 Cb 0.81 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.11 1wj4 n ARG 91 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wj4 n ARG 92 N -1.06 0.00 -3.65 5.56 1.74 -1.26 -4.86 116.66 113.13 1wj4 n ARG 92 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1wj4 n ARG 92 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 1wj4 n ARG 92 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wj4 s LYS 93 N -1.16 2.95 -1.01 5.56 1.02 -1.26 -2.32 119.74 123.52 1wj4 s LYS 93 Ca 0.00 -0.98 -0.24 0.00 0.02 0.00 0.00 55.97 54.77 1wj4 s LYS 93 Cb 0.00 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 1wj4 s LYS 93 CO 0.00 -0.60 1.91 -0.51 -0.92 0.00 0.00 175.35 175.23 1wj4 s LEU 94 N 1.54 3.17 0.05 3.17 1.43 0.07 -3.70 118.68 124.41 1wj4 s LEU 94 Ca 0.02 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1wj4 s LEU 94 Cb -0.18 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1wj4 s LEU 94 CO 0.06 -2.74 0.00 -0.24 0.23 0.00 0.00 176.35 173.66 1wj4 n SER 95 N 13.65 -0.47 -0.38 2.29 2.88 -1.26 -4.58 113.62 125.74 1wj4 n SER 95 Ca 0.42 0.15 -0.09 0.00 -1.33 0.00 0.00 58.87 58.02 1wj4 n SER 95 Cb 0.47 0.69 -0.07 0.00 -0.75 0.00 0.00 64.21 64.55 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 -2.27 -0.34 0.00 0.66 1.44 -1.24 -2.44 115.22 111.02 1wj4 n HIS 96 Ca 0.00 1.13 0.00 0.00 -2.01 0.00 0.00 57.72 56.84 1wj4 n HIS 96 Cb 0.00 -0.61 0.00 0.00 0.12 0.00 0.00 29.99 29.50 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 -5.16 0.00 0.00 2.39 -0.00 -1.26 -4.98 117.00 107.99 1wj4 n LEU 97 Ca 0.03 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1wj4 n LEU 97 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1wj4 n LEU 97 CO -0.14 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.72 1wj4 n ASP 98 N -0.21 0.00 -0.01 1.45 8.00 -1.02 -5.04 116.55 119.72 1wj4 n ASP 98 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1wj4 n ASP 98 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1wj4 n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wj4 n TYR 99 N -0.43 0.00 0.30 1.24 4.01 -1.26 -4.51 117.16 116.50 1wj4 n TYR 99 Ca 0.00 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.93 1wj4 n TYR 99 Cb 0.00 -0.16 0.85 0.00 -0.31 0.00 0.00 39.34 39.72 1wj4 n TYR 99 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1wj4 h ASP 100 N 0.00 0.00 -0.61 7.72 3.58 -1.96 -2.31 116.42 122.84 1wj4 h ASP 100 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1wj4 h ASP 100 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1wj4 h ASP 100 CO 0.00 0.01 0.00 2.30 -2.88 0.00 0.00 179.24 178.68 1wj4 n ILE 101 N -3.13 0.00 -4.41 2.25 -5.35 -1.26 -4.80 119.36 102.66 1wj4 n ILE 101 Ca -0.01 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.20 1wj4 n ILE 101 Cb 0.23 -0.58 -0.12 0.00 -1.74 0.00 0.00 39.64 37.43 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 -0.47 2.39 0.58 7.28 -4.23 -1.26 -3.58 115.64 116.34 1wj4 s THR 102 Ca 0.00 -1.98 0.39 0.00 -1.18 0.00 0.00 61.69 58.93 1wj4 s THR 102 Cb 0.00 -2.14 0.58 0.00 1.34 0.00 0.00 72.50 72.28 1wj4 s THR 102 CO 0.00 -0.09 1.51 -0.07 -0.54 0.00 0.00 174.62 175.43 1wj4 h LEU 103 N 3.26 0.00 0.04 4.79 3.38 -0.85 1.37 115.31 127.31 1wj4 h LEU 103 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1wj4 h LEU 103 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1wj4 h LEU 103 CO 0.47 0.00 -0.02 -0.61 0.09 0.00 0.00 178.44 178.37 1wj4 h GLN 104 N 0.00 -0.05 -0.16 1.13 4.15 -1.86 0.27 115.11 118.59 1wj4 h GLN 104 Ca 0.70 0.00 0.04 0.00 0.77 0.00 0.00 58.65 60.17 1wj4 h GLN 104 Cb 3.19 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 30.85 1wj4 h GLN 104 CO -0.01 0.52 -0.10 0.93 -1.93 0.00 0.00 178.83 178.24 1wj4 h GLU 105 N -0.67 -0.10 -0.22 1.69 5.08 0.14 0.17 114.58 120.68 1wj4 h GLU 105 Ca -0.01 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1wj4 h GLU 105 Cb 0.59 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1wj4 h GLU 105 CO 0.01 -0.06 0.27 0.00 -1.00 0.00 0.00 179.01 178.22 1wj4 h ALA 106 N 1.02 1.83 -1.31 3.43 0.00 -1.29 -3.46 119.26 119.50 1wj4 h ALA 106 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wj4 h ALA 106 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wj4 h ALA 106 CO -0.22 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.06 1wj4 n GLY 107 N -1.40 0.75 0.87 0.00 0.00 0.61 -4.94 105.19 101.07 1wj4 n GLY 107 Ca 0.03 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.65 0.47 -4.35 0.99 4.77 0.94 -4.91 117.00 114.26 1wj4 n LEU 108 Ca 0.00 -1.47 -0.30 0.00 -0.03 0.00 0.00 56.01 54.21 1wj4 n LEU 108 Cb 0.25 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1wj4 n LEU 108 CO 0.00 0.37 -0.57 0.00 -1.33 0.00 0.00 177.39 175.86 1wj4 h PRO 110 N 4.60 0.24 -3.66 0.00 0.13 -1.96 -3.47 132.00 127.88 1wj4 h PRO 110 Ca -0.47 -0.23 -0.31 0.00 -0.87 0.00 0.00 66.00 64.11 1wj4 h PRO 110 Cb 1.15 0.06 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 1wj4 h PRO 110 CO 0.43 0.93 -0.74 1.14 -0.23 0.00 0.00 178.00 179.52 1wj4 s GLN 111 N -3.36 0.13 0.01 0.86 -2.07 -1.23 -2.11 119.66 111.88 1wj4 s GLN 111 Ca -0.04 0.10 -0.02 0.00 -1.82 0.00 0.00 55.36 53.58 1wj4 s GLN 111 Cb 0.10 -0.33 -0.01 0.00 -1.09 0.00 0.00 33.01 31.69 1wj4 s GLN 111 CO 0.83 -0.12 0.03 -2.00 -1.32 0.00 0.00 175.29 172.70 1wj4 s GLU 112 N 0.88 0.35 -0.44 9.60 2.56 -0.40 -4.96 118.70 126.30 1wj4 s GLU 112 Ca -0.08 -0.50 -0.20 0.00 0.00 0.00 0.00 54.97 54.18 1wj4 s GLU 112 Cb -0.11 0.13 0.02 0.00 2.00 0.00 0.00 34.13 36.18 1wj4 s GLU 112 CO -0.02 -0.07 0.61 0.99 -0.56 0.00 0.00 175.26 176.21 1wj4 s THR 113 N -1.35 4.87 0.45 -1.70 2.01 -1.26 -2.13 115.64 116.53 1wj4 s THR 113 Ca -0.15 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 1wj4 s THR 113 Cb -0.09 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1wj4 s THR 113 CO -0.00 -0.58 0.79 -0.69 -0.69 0.00 0.00 174.62 173.45 1wj4 s VAL 114 N 2.70 4.84 -0.06 3.82 1.01 0.71 -2.07 120.40 131.35 1wj4 s VAL 114 Ca 0.21 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1wj4 s VAL 114 Cb -0.15 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1wj4 s VAL 114 CO 0.18 -0.71 0.14 -0.36 0.00 0.00 0.00 175.10 174.35 1wj4 s PHE 115 N -2.59 -0.15 -0.32 5.22 0.40 0.23 -1.19 117.98 119.59 1wj4 s PHE 115 Ca 0.50 0.46 -0.22 0.00 -0.60 0.00 0.00 56.93 57.07 1wj4 s PHE 115 Cb -0.10 -0.11 -0.00 0.00 0.51 0.00 0.00 43.02 43.32 1wj4 s PHE 115 CO 0.39 -0.16 0.70 0.08 0.70 0.00 0.00 175.22 176.92 1wj4 s VAL 116 N 1.22 4.86 0.25 -0.44 1.01 0.33 0.17 120.40 127.80 1wj4 s VAL 116 Ca -0.09 0.93 0.11 0.00 0.00 0.00 0.00 61.98 62.94 1wj4 s VAL 116 Cb -0.12 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1wj4 s VAL 116 CO -0.06 -0.23 -0.21 -1.10 0.00 0.00 0.00 175.10 173.51 1wj4 s GLN 117 N 2.78 1.59 0.17 2.72 -0.21 0.20 -3.38 119.66 123.54 1wj4 s GLN 117 Ca 0.28 -1.67 -0.31 0.00 0.02 0.00 0.00 55.36 53.68 1wj4 s GLN 117 Cb -0.14 -1.72 -0.10 0.00 1.00 0.00 0.00 33.01 32.05 1wj4 s GLN 117 CO 0.13 0.34 1.51 -1.21 -2.12 0.00 0.00 175.29 173.93 1wj4 s GLU 118 N -3.26 4.25 0.32 2.91 2.02 -1.26 0.18 118.70 123.86 1wj4 s GLU 118 Ca 0.26 2.29 0.09 0.00 0.02 0.00 0.00 54.97 57.63 1wj4 s GLU 118 Cb -0.06 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 1wj4 s GLU 118 CO 0.13 -0.53 0.05 0.45 0.02 0.00 0.00 175.26 175.37 1wj4 s SER 119 N 0.99 4.46 0.00 -0.19 0.15 -1.26 -4.61 113.70 113.24 1wj4 s SER 119 Ca 0.67 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1wj4 s SER 119 Cb -0.42 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1wj4 s SER 119 CO 0.33 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1wj4 n GLY 120 N -1.01 2.34 3.55 9.45 0.00 -1.26 -4.36 105.19 113.91 1wj4 n GLY 120 Ca -0.04 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1wj4 n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wj4 n PRO 121 N 0.00 2.40 -4.51 1.61 -0.04 -1.26 -4.86 135.00 128.35 1wj4 n PRO 121 Ca 0.00 -2.86 -0.26 0.00 -0.04 0.00 0.00 63.50 60.34 1wj4 n PRO 121 Cb 0.00 -3.59 -0.13 0.00 -0.04 0.00 0.00 33.50 29.73 1wj4 n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wj4 s SER 122 N 5.28 2.72 0.00 3.54 0.15 -1.26 -5.13 113.70 119.00 1wj4 s SER 122 Ca 0.61 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1wj4 s SER 122 Cb 0.02 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1wj4 s SER 122 CO 0.10 0.14 0.00 -0.24 1.20 0.00 0.00 173.24 174.44 1wj4 n SER 123 N 1.42 0.00 0.00 5.45 2.88 -1.26 -4.69 113.62 117.42 1wj4 n SER 123 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1wj4 n SER 123 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42