#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj4 n SER 2 N 0.00 0.00 -3.66 1.61 7.64 -1.26 -5.19 113.62 112.76 1wj4 n SER 2 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wj4 n SER 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wj4 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wj4 s SER 3 N 0.00 -0.09 0.00 6.43 1.04 -1.26 -5.19 113.70 114.63 1wj4 s SER 3 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1wj4 s SER 3 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1wj4 s SER 3 CO 0.00 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1wj4 n GLY 4 N -0.53 3.64 0.00 7.32 0.00 -1.26 -5.19 105.19 109.18 1wj4 n GLY 4 Ca -0.07 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1wj4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj4 n SER 5 N -1.66 0.00 0.00 1.61 2.88 -1.26 -5.19 113.62 110.01 1wj4 n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wj4 n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wj4 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wj4 n SER 6 N 0.00 0.00 -3.68 -3.46 7.64 -1.26 -5.19 113.62 107.67 1wj4 n SER 6 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1wj4 n SER 6 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1wj4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj4 n GLY 7 N -0.17 0.25 3.27 0.23 0.00 -1.26 -5.19 105.19 102.33 1wj4 n GLY 7 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wj4 s THR 8 N -2.02 0.04 0.06 2.61 -1.32 -1.26 -5.17 115.64 108.57 1wj4 s THR 8 Ca 0.28 -1.75 0.04 0.00 -1.21 0.00 0.00 61.69 59.05 1wj4 s THR 8 Cb -0.01 -2.18 -0.03 0.00 -1.51 0.00 0.00 72.50 68.78 1wj4 s THR 8 CO -0.00 -0.20 -0.11 0.00 -2.21 0.00 0.00 174.62 172.10 1wj4 s ALA 9 N -4.06 0.87 0.56 11.08 0.00 -1.26 -5.16 121.76 123.78 1wj4 s ALA 9 Ca 0.27 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1wj4 s ALA 9 Cb 0.05 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.19 1wj4 s ALA 9 CO 0.06 0.07 0.41 0.25 0.00 0.00 0.00 175.76 176.56 1wj4 n THR 10 N 1.40 0.00 -3.88 0.00 -2.24 -1.26 -5.15 114.28 103.14 1wj4 n THR 10 Ca -0.22 -2.22 -0.23 0.00 -2.27 0.00 0.00 64.05 59.11 1wj4 n THR 10 Cb 0.54 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1wj4 n THR 10 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wj4 s ASN 11 N -4.27 4.69 0.26 3.42 -0.87 -1.26 -5.15 114.94 111.76 1wj4 s ASN 11 Ca 0.31 -0.94 -0.02 0.00 -1.57 0.00 0.00 52.86 50.65 1wj4 s ASN 11 Cb -0.02 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.25 40.68 1wj4 s ASN 11 CO 0.20 -0.60 0.28 -1.00 -2.57 0.00 0.00 177.10 173.41 1wj4 s HIS 12 N -2.55 1.12 0.24 2.20 3.76 -1.26 -5.18 115.29 113.62 1wj4 s HIS 12 Ca 0.44 -1.31 -0.04 0.00 -0.15 0.00 0.00 55.06 54.00 1wj4 s HIS 12 Cb 0.01 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.29 1wj4 s HIS 12 CO 0.25 -0.83 0.29 1.14 -0.85 0.00 0.00 174.74 174.74 1wj4 s GLN 13 N -3.81 1.45 0.29 1.40 -2.07 -1.26 -5.18 119.66 110.47 1wj4 s GLN 13 Ca 0.35 -1.57 -0.03 0.00 -1.82 0.00 0.00 55.36 52.29 1wj4 s GLN 13 Cb 0.04 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 1wj4 s GLN 13 CO 0.16 -0.54 0.38 0.20 -1.32 0.00 0.00 175.29 174.17 1wj4 s GLY 14 N -3.15 1.39 0.11 2.60 0.00 -1.26 -5.19 107.32 101.83 1wj4 s GLY 14 Ca 0.33 -1.49 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 1wj4 s GLY 14 CO 0.14 -1.06 0.05 1.08 0.00 0.00 0.00 173.10 173.30 1wj4 s LEU 15 N -3.19 1.90 0.94 0.66 1.43 -1.26 -5.17 118.68 114.00 1wj4 s LEU 15 Ca 0.32 -1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.15 1wj4 s LEU 15 Cb 0.01 0.32 0.16 0.00 0.03 0.00 0.00 46.19 46.71 1wj4 s LEU 15 CO 0.17 -0.71 1.15 -2.16 0.23 0.00 0.00 176.35 175.04 1wj4 s PRO 16 N -4.01 0.88 0.28 1.29 0.04 -1.26 -5.09 135.00 127.13 1wj4 s PRO 16 Ca 0.20 0.19 0.02 0.00 0.04 0.00 0.00 61.00 61.45 1wj4 s PRO 16 Cb 0.07 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 1wj4 s PRO 16 CO -0.01 -2.35 0.15 0.00 0.04 0.00 0.00 177.00 174.83 1wj4 s ALA 17 N -3.31 1.77 0.70 8.56 0.00 -1.26 -5.17 121.76 123.05 1wj4 s ALA 17 Ca 0.65 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1wj4 s ALA 17 Cb -0.13 1.19 0.13 0.00 0.00 0.00 0.00 23.12 24.32 1wj4 s ALA 17 CO 0.53 -0.52 0.96 1.33 0.00 0.00 0.00 175.76 178.07 1wj4 n VAL 18 N -0.51 0.00 -4.10 0.00 0.24 -1.26 -5.13 118.33 107.56 1wj4 n VAL 18 Ca 0.01 -1.70 -0.05 0.00 -2.04 0.00 0.00 64.34 60.56 1wj4 n VAL 18 Cb 0.65 -0.78 -0.01 0.00 -1.47 0.00 0.00 33.84 32.22 1wj4 n VAL 18 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wj4 n ASP 19 N -2.75 1.05 -4.44 -1.34 8.00 -1.26 -5.16 116.55 110.65 1wj4 n ASP 19 Ca 0.17 -1.44 -0.32 0.00 0.71 0.00 0.00 54.79 53.90 1wj4 n ASP 19 Cb 0.60 0.20 -0.14 0.00 -0.02 0.00 0.00 41.12 41.77 1wj4 n ASP 19 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wj4 s SER 20 N -1.51 3.87 0.00 -2.24 1.04 -1.26 -4.96 113.70 108.65 1wj4 s SER 20 Ca 0.04 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1wj4 s SER 20 Cb 0.00 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1wj4 s SER 20 CO 0.03 0.33 0.00 -1.84 0.98 0.00 0.00 173.24 172.74 1wj4 n GLU 21 N 2.40 0.00 -3.85 4.02 0.00 -1.26 -5.07 120.64 116.88 1wj4 n GLU 21 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.64 1wj4 n GLU 21 Cb 0.52 -0.02 -0.05 0.00 0.00 0.00 0.00 31.44 31.88 1wj4 n GLU 21 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1wj4 s ILE 22 N -1.92 5.43 -0.51 3.84 1.01 -1.26 -4.62 121.20 123.17 1wj4 s ILE 22 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1wj4 s ILE 22 Cb 0.00 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 39.02 1wj4 s ILE 22 CO 0.00 0.47 0.65 -0.11 0.00 0.00 0.00 174.94 175.95 1wj4 n LEU 23 N 1.45 -3.26 -2.63 2.97 0.00 -1.26 -4.92 117.00 109.35 1wj4 n LEU 23 Ca -0.15 -0.18 -0.10 0.00 0.00 0.00 0.00 56.01 55.59 1wj4 n LEU 23 Cb 0.54 -1.89 0.03 0.00 0.00 0.00 0.00 43.42 42.10 1wj4 n LEU 23 CO 0.38 -0.30 -0.00 -1.84 0.00 0.00 0.00 177.39 175.62 1wj4 n GLU 24 N -0.57 1.95 -4.33 1.96 0.28 -1.26 -5.08 120.64 113.58 1wj4 n GLU 24 Ca -0.09 -3.61 -0.20 0.00 -0.16 0.00 0.00 57.16 53.09 1wj4 n GLU 24 Cb 0.65 -1.63 -0.11 0.00 1.43 0.00 0.00 31.44 31.79 1wj4 n GLU 24 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1wj4 s MET 25 N -3.49 1.26 0.55 3.44 -1.94 -1.26 -5.08 119.30 112.79 1wj4 s MET 25 Ca 0.32 -1.44 -0.17 0.00 -1.71 0.00 0.00 55.69 52.69 1wj4 s MET 25 Cb 0.39 -1.23 -0.05 0.00 2.01 0.00 0.00 34.83 35.95 1wj4 s MET 25 CO -0.02 0.24 1.05 -1.25 -0.01 0.00 0.00 175.02 175.02 1wj4 s PRO 26 N -3.03 3.52 1.09 2.03 0.04 -1.26 -5.05 135.00 132.34 1wj4 s PRO 26 Ca 0.17 1.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.26 1wj4 s PRO 26 Cb -0.04 -2.06 0.25 0.00 0.04 0.00 0.00 34.50 32.69 1wj4 s PRO 26 CO 0.06 -0.65 1.22 -1.25 0.04 0.00 0.00 177.00 176.42 1wj4 s PRO 27 N -3.83 -0.37 0.04 0.56 0.04 -1.26 -5.10 135.00 125.08 1wj4 s PRO 27 Ca 0.64 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 1wj4 s PRO 27 Cb -0.16 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1wj4 s PRO 27 CO 0.31 -3.11 -0.03 -1.21 0.04 0.00 0.00 177.00 173.01 1wj4 s GLU 28 N -5.68 0.48 0.26 4.56 2.02 -1.26 -5.17 118.70 113.90 1wj4 s GLU 28 Ca 0.73 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.82 1wj4 s GLU 28 Cb -0.06 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.28 1wj4 s GLU 28 CO 0.55 -0.08 -0.01 -1.59 0.02 0.00 0.00 175.26 174.14 1wj4 s LYS 29 N -2.82 1.43 0.04 1.61 0.00 -1.26 -5.16 119.74 113.58 1wj4 s LYS 29 Ca -0.03 -1.73 -0.28 0.00 0.00 0.00 0.00 55.97 53.92 1wj4 s LYS 29 Cb -0.00 -0.80 0.10 0.00 0.00 0.00 0.00 37.83 37.13 1wj4 s LYS 29 CO -0.06 -0.07 1.11 0.00 0.00 0.00 0.00 175.35 176.33 1wj4 s ALA 30 N -3.29 -1.95 0.80 0.59 0.00 -1.26 -5.16 121.76 111.50 1wj4 s ALA 30 Ca 0.30 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 1wj4 s ALA 30 Cb 0.05 0.45 0.08 0.00 0.00 0.00 0.00 23.12 23.70 1wj4 s ALA 30 CO 0.10 -0.99 1.21 -0.51 0.00 0.00 0.00 175.76 175.57 1wj4 s ASP 31 N -2.86 3.65 0.00 0.00 1.11 -1.26 -4.99 116.67 112.32 1wj4 s ASP 31 Ca 0.12 2.36 0.00 0.00 0.18 0.00 0.00 52.55 55.22 1wj4 s ASP 31 Cb 0.01 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1wj4 s ASP 31 CO -0.02 -2.63 0.00 0.61 1.18 0.00 0.00 175.17 174.31 1wj4 n GLY 32 N 0.47 3.37 3.54 0.21 0.00 -1.26 -5.01 105.19 106.51 1wj4 n GLY 32 Ca 0.13 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1wj4 n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wj4 n VAL 33 N 0.00 1.39 -4.02 1.61 3.14 -1.26 -4.84 118.33 114.35 1wj4 n VAL 33 Ca 0.00 -1.42 -0.33 0.00 -2.96 0.00 0.00 64.34 59.63 1wj4 n VAL 33 Cb 0.00 -2.13 -0.15 0.00 -1.06 0.00 0.00 33.84 30.50 1wj4 n VAL 33 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wj4 s VAL 34 N 12.07 2.46 -0.22 1.55 0.11 -1.26 -5.07 120.40 130.05 1wj4 s VAL 34 Ca 0.71 -1.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.11 1wj4 s VAL 34 Cb -0.00 -2.34 0.15 0.00 -1.53 0.00 0.00 36.38 32.66 1wj4 s VAL 34 CO 0.16 0.09 1.15 -0.70 -3.33 0.00 0.00 175.10 172.47 1wj4 s GLU 35 N 1.21 0.37 -0.60 1.54 2.12 -1.26 -5.11 118.70 116.96 1wj4 s GLU 35 Ca -0.04 0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.35 1wj4 s GLU 35 Cb -0.18 0.18 0.16 0.00 0.26 0.00 0.00 34.13 34.54 1wj4 s GLU 35 CO -0.05 -0.11 0.43 0.20 -0.54 0.00 0.00 175.26 175.18 1wj4 s GLY 36 N -1.01 2.42 -0.23 -1.50 0.00 -1.26 -5.06 107.32 100.69 1wj4 s GLY 36 Ca 0.03 -3.13 -0.24 0.00 0.00 0.00 0.00 44.72 41.38 1wj4 s GLY 36 CO -0.03 1.10 0.79 -0.42 0.00 0.00 0.00 173.10 174.55 1wj4 s ILE 37 N 0.20 4.88 -0.18 0.90 1.09 -1.26 -5.03 121.20 121.80 1wj4 s ILE 37 Ca 0.15 1.49 -0.11 0.00 -1.10 0.00 0.00 60.65 61.09 1wj4 s ILE 37 Cb -0.20 -4.08 -0.05 0.00 -1.06 0.00 0.00 42.46 37.07 1wj4 s ILE 37 CO -0.04 -0.03 0.17 -1.81 -0.10 0.00 0.00 174.94 173.14 1wj4 s ASP 38 N 1.31 6.30 0.51 3.58 1.01 -1.26 -5.09 116.67 123.03 1wj4 s ASP 38 Ca 0.34 0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.95 1wj4 s ASP 38 Cb -0.16 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 1wj4 s ASP 38 CO 0.09 0.19 0.01 0.68 0.21 0.00 0.00 175.17 176.35 1wj4 s VAL 39 N 0.18 1.10 0.04 -1.27 -7.23 -1.26 -4.97 120.40 106.99 1wj4 s VAL 39 Ca 0.11 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1wj4 s VAL 39 Cb -0.12 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1wj4 s VAL 39 CO 0.00 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 171.59 1wj4 n ASN 40 N -1.28 -4.92 0.00 4.85 5.15 -1.26 -5.04 115.26 112.76 1wj4 n ASN 40 Ca -0.19 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.45 1wj4 n ASN 40 Cb 0.67 -2.66 0.00 0.00 -0.53 0.00 0.00 39.78 37.26 1wj4 n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wj4 n GLY 41 N 0.75 -1.68 3.75 8.20 0.00 -1.26 -4.96 105.19 109.99 1wj4 n GLY 41 Ca 0.00 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 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 -5.02 4.65 0.00 1.61 0.04 -1.26 -5.05 135.00 129.97 1wj4 s PRO 42 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1wj4 s PRO 42 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1wj4 s PRO 42 CO 0.00 0.20 0.00 1.63 0.04 0.00 0.00 177.00 178.87 1wj4 n LYS 43 N 1.48 3.61 -3.15 4.56 5.02 -1.26 -5.04 118.16 123.38 1wj4 n LYS 43 Ca -0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 1wj4 n LYS 43 Cb 0.45 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.39 1wj4 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wj4 s ALA 44 N -3.06 3.60 -0.67 7.82 0.00 0.13 -4.88 121.76 124.69 1wj4 s ALA 44 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.22 1wj4 s ALA 44 Cb 0.00 -2.98 0.04 0.00 0.00 0.00 0.00 23.12 20.18 1wj4 s ALA 44 CO 0.00 -0.76 1.16 -0.65 0.00 0.00 0.00 175.76 175.51 1wj4 s GLN 45 N 2.38 3.26 -0.18 0.00 -0.21 -1.07 -1.86 119.66 121.98 1wj4 s GLN 45 Ca 0.25 -0.26 -0.08 0.00 0.02 0.00 0.00 55.36 55.29 1wj4 s GLN 45 Cb -0.16 -4.14 -0.04 0.00 1.00 0.00 0.00 33.01 29.67 1wj4 s GLN 45 CO 0.09 -1.90 0.09 -0.51 -2.12 0.00 0.00 175.29 170.94 1wj4 s LEU 46 N 5.02 4.01 -0.60 2.90 2.01 0.76 -1.83 118.68 130.94 1wj4 s LEU 46 Ca 0.34 0.18 -0.11 0.00 0.01 0.00 0.00 54.13 54.55 1wj4 s LEU 46 Cb -0.10 -2.02 0.15 0.00 0.01 0.00 0.00 46.19 44.23 1wj4 s LEU 46 CO 0.17 0.20 0.50 -0.32 1.01 0.00 0.00 176.35 177.91 1wj4 s MET 47 N 0.20 2.88 -0.49 1.70 1.75 -0.89 0.93 119.30 125.39 1wj4 s MET 47 Ca 0.06 -2.07 -0.28 0.00 -1.25 0.00 0.00 55.69 52.15 1wj4 s MET 47 Cb -0.12 -4.09 -0.00 0.00 2.84 0.00 0.00 34.83 33.46 1wj4 s MET 47 CO -0.00 -1.24 1.60 -0.51 -0.65 0.00 0.00 175.02 174.21 1wj4 s LEU 48 N 0.84 3.44 -0.35 4.11 2.01 0.59 -1.37 118.68 127.95 1wj4 s LEU 48 Ca 0.10 0.64 -0.12 0.00 0.01 0.00 0.00 54.13 54.76 1wj4 s LEU 48 Cb -0.22 -3.15 -0.00 0.00 0.01 0.00 0.00 46.19 42.83 1wj4 s LEU 48 CO -0.03 -1.79 0.23 -0.13 1.01 0.00 0.00 176.35 175.64 1wj4 s ARG 49 N 5.75 3.26 0.53 1.70 1.81 0.88 0.60 118.95 133.49 1wj4 s ARG 49 Ca 0.64 -0.80 -0.16 0.00 -1.72 0.00 0.00 55.73 53.69 1wj4 s ARG 49 Cb -0.14 -3.79 -0.07 0.00 -0.45 0.00 0.00 34.95 30.50 1wj4 s ARG 49 CO 0.28 -0.54 1.00 0.71 -0.68 0.00 0.00 175.30 176.07 1wj4 s TYR 50 N 1.67 3.36 -1.23 -0.53 2.02 -0.48 0.16 117.35 122.33 1wj4 s TYR 50 Ca 0.05 1.47 -0.20 0.00 -0.37 0.00 0.00 57.07 58.02 1wj4 s TYR 50 Cb -0.18 -2.83 -0.02 0.00 -0.40 0.00 0.00 41.96 38.53 1wj4 s TYR 50 CO 0.09 -0.53 1.87 -0.35 -1.57 0.00 0.00 175.55 175.06 1wj4 n PRO 51 N -1.71 2.38 -0.95 -1.71 -0.04 -1.20 -3.59 135.00 128.19 1wj4 n PRO 51 Ca 0.07 -2.79 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1wj4 n PRO 51 Cb 0.54 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 1wj4 n PRO 51 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wj4 n ASP 52 N 10.67 -1.61 -2.27 3.54 9.92 -1.26 -4.87 116.55 130.67 1wj4 n ASP 52 Ca 0.48 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.41 1wj4 n ASP 52 Cb 0.45 -0.76 0.07 0.00 -0.64 0.00 0.00 41.12 40.24 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wj4 n GLY 53 N -2.10 5.94 7.00 0.44 0.00 -1.24 -5.04 105.19 110.20 1wj4 n GLY 53 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 46.02 43.67 1wj4 n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wj4 n LYS 54 N -0.89 0.00 -4.10 1.61 5.02 -1.26 -4.67 118.16 113.87 1wj4 n LYS 54 Ca 0.59 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.74 1wj4 n LYS 54 Cb 0.73 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.70 1wj4 n LYS 54 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1wj4 s ARG 55 N 0.00 1.89 -0.30 1.97 1.70 -1.26 -1.38 118.95 121.57 1wj4 s ARG 55 Ca 0.00 -1.76 -0.16 0.00 -0.47 0.00 0.00 55.73 53.34 1wj4 s ARG 55 Cb 0.00 0.44 0.19 0.00 -0.57 0.00 0.00 34.95 35.01 1wj4 s ARG 55 CO 0.00 -0.78 1.19 -2.00 -1.08 0.00 0.00 175.30 172.64 1wj4 s GLU 56 N -3.11 0.13 0.00 3.89 2.12 0.20 -4.92 118.70 117.01 1wj4 s GLU 56 Ca 0.31 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.88 1wj4 s GLU 56 Cb -0.00 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1wj4 s GLU 56 CO 0.20 -0.03 0.01 -1.14 -0.54 0.00 0.00 175.26 173.77 1wj4 s GLN 57 N 1.22 2.81 0.30 4.30 0.74 -1.26 0.22 119.66 128.00 1wj4 s GLN 57 Ca -0.08 -0.60 0.03 0.00 0.05 0.00 0.00 55.36 54.76 1wj4 s GLN 57 Cb -0.03 -2.69 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 1wj4 s GLN 57 CO -0.12 0.62 0.16 0.96 -0.55 0.00 0.00 175.29 176.37 1wj4 s ILE 58 N -1.11 0.31 -0.24 -2.34 -4.36 0.27 -4.92 121.20 108.81 1wj4 s ILE 58 Ca 0.20 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1wj4 s ILE 58 Cb -0.12 -2.51 0.07 0.00 1.25 0.00 0.00 42.46 41.16 1wj4 s ILE 58 CO 0.11 0.00 0.05 -0.89 0.24 0.00 0.00 174.94 174.45 1wj4 s THR 59 N -3.61 0.74 0.25 8.37 2.01 -1.26 -0.17 115.64 121.96 1wj4 s THR 59 Ca 0.36 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.52 1wj4 s THR 59 Cb 0.05 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1wj4 s THR 59 CO 0.18 -0.37 0.10 -0.76 -0.69 0.00 0.00 174.62 173.07 1wj4 s LEU 60 N 1.73 3.52 0.65 4.42 2.01 -0.78 -4.81 118.68 125.43 1wj4 s LEU 60 Ca 0.02 -0.41 -0.13 0.00 0.01 0.00 0.00 54.13 53.62 1wj4 s LEU 60 Cb -0.17 -2.07 -0.01 0.00 0.01 0.00 0.00 46.19 43.95 1wj4 s LEU 60 CO -0.14 -0.01 1.06 -2.16 1.01 0.00 0.00 176.35 176.11 1wj4 s PRO 61 N -3.66 3.13 0.20 1.29 0.04 -1.26 0.18 135.00 134.92 1wj4 s PRO 61 Ca 0.32 1.05 -0.07 0.00 0.04 0.00 0.00 61.00 62.34 1wj4 s PRO 61 Cb -0.08 -2.01 0.12 0.00 0.04 0.00 0.00 34.50 32.58 1wj4 s PRO 61 CO 0.22 -0.95 1.63 0.93 0.04 0.00 0.00 177.00 178.88 1wj4 h GLU 62 N -0.20 0.94 0.00 4.56 5.08 -1.95 -2.45 114.58 120.55 1wj4 h GLU 62 Ca -0.45 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.52 1wj4 h GLU 62 Cb 1.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1wj4 h GLU 62 CO 0.57 1.00 -0.24 -0.56 -1.00 0.00 0.00 179.01 178.78 1wj4 h GLN 63 N 0.84 0.00 -6.53 2.33 3.07 -1.93 0.60 115.11 113.48 1wj4 h GLN 63 Ca 0.13 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.27 1wj4 h GLN 63 Cb 0.65 0.00 0.11 0.00 0.08 0.00 0.00 27.48 28.32 1wj4 h GLN 63 CO 0.05 0.24 0.25 0.00 0.09 0.00 0.00 178.83 179.45 1wj4 n ALA 64 N -2.21 0.14 -1.84 0.06 0.00 -0.92 -4.53 120.51 111.21 1wj4 n ALA 64 Ca 0.01 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 1wj4 n ALA 64 Cb 0.47 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 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 -1.48 4.53 0.59 0.00 -0.14 -1.26 -0.26 119.74 121.73 1wj4 s LYS 65 Ca 0.59 1.92 0.32 0.00 -1.36 0.00 0.00 55.97 57.45 1wj4 s LYS 65 Cb -0.68 -3.18 1.29 0.00 -1.68 0.00 0.00 37.83 33.59 1wj4 s LYS 65 CO 0.59 0.03 1.59 1.25 -0.76 0.00 0.00 175.35 178.05 1wj4 h LEU 66 N 4.13 0.00 -1.06 3.17 5.85 -1.56 1.87 115.31 127.71 1wj4 h LEU 66 Ca -0.47 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.28 1wj4 h LEU 66 Cb 1.22 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1wj4 h LEU 66 CO 0.69 0.00 0.64 0.25 -0.34 0.00 0.00 178.44 179.67 1wj4 h LEU 67 N 0.00 1.07 -0.84 2.25 6.46 -1.86 -1.86 115.31 120.54 1wj4 h LEU 67 Ca 0.48 -0.02 0.19 0.00 -0.12 0.00 0.00 57.88 58.42 1wj4 h LEU 67 Cb 2.44 -0.26 -0.15 0.00 -0.73 0.00 0.00 40.66 41.97 1wj4 h LEU 67 CO -0.01 0.75 -0.06 0.00 -0.62 0.00 0.00 178.44 178.51 1wj4 h ALA 68 N 1.42 0.80 -0.20 1.25 0.00 0.26 2.53 119.26 125.33 1wj4 h ALA 68 Ca 0.37 0.29 -0.10 0.00 0.00 0.00 0.00 54.91 55.48 1wj4 h ALA 68 Cb -0.05 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wj4 h ALA 68 CO -0.10 -0.45 -0.31 1.25 0.00 0.00 0.00 179.25 179.64 1wj4 h LEU 69 N 0.05 0.40 0.27 0.00 5.85 -1.46 -2.21 115.31 118.20 1wj4 h LEU 69 Ca 0.45 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1wj4 h LEU 69 Cb 0.80 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1wj4 h LEU 69 CO -0.79 0.69 -0.13 0.58 -0.34 0.00 0.00 178.44 178.45 1wj4 h VAL 70 N 0.34 0.66 -0.57 1.05 2.07 0.27 -2.03 116.25 118.05 1wj4 h VAL 70 Ca 0.04 -0.80 0.16 0.00 0.82 0.00 0.00 66.70 66.93 1wj4 h VAL 70 Cb 0.72 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1wj4 h VAL 70 CO 0.05 0.14 0.58 0.11 0.02 0.00 0.00 177.57 178.47 1wj4 h LYS 71 N -0.85 0.00 0.18 1.57 1.57 0.36 0.46 116.57 119.85 1wj4 h LYS 71 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1wj4 h LYS 71 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1wj4 h LYS 71 CO 0.06 0.00 -0.09 1.25 -0.57 0.00 0.00 179.45 180.10 1wj4 h HIS 72 N 0.00 -0.23 -0.11 -1.35 2.76 -1.15 -1.50 115.15 113.57 1wj4 h HIS 72 Ca 0.27 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.47 1wj4 h HIS 72 Cb 1.42 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.45 1wj4 h HIS 72 CO 0.00 -0.14 0.29 0.28 -1.30 0.00 0.00 177.93 177.06 1wj4 h VAL 73 N -0.54 0.16 -0.05 5.26 2.07 -0.53 0.32 116.25 122.94 1wj4 h VAL 73 Ca -0.02 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.28 1wj4 h VAL 73 Cb 0.19 0.74 0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1wj4 h VAL 73 CO 0.04 0.00 -0.81 -0.61 0.02 0.00 0.00 177.57 176.21 1wj4 h GLN 74 N 0.00 0.63 0.00 1.57 4.15 -0.11 -2.57 115.11 118.78 1wj4 h GLN 74 Ca 0.05 -0.62 -0.10 0.00 0.77 0.00 0.00 58.65 58.75 1wj4 h GLN 74 Cb 0.63 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 1wj4 h GLN 74 CO -0.00 1.23 -0.48 0.77 -1.93 0.00 0.00 178.83 178.42 1wj4 h SER 75 N 0.27 0.00 -0.82 -0.69 0.02 0.65 -2.89 113.55 110.09 1wj4 h SER 75 Ca -0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1wj4 h SER 75 Cb 1.47 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 1wj4 h SER 75 CO 0.16 0.48 0.36 0.11 -1.14 0.00 0.00 176.83 176.80 1wj4 h LYS 76 N 0.00 1.21 0.00 3.45 1.79 -1.03 -3.46 116.57 118.53 1wj4 h LYS 76 Ca -0.00 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1wj4 h LYS 76 Cb 0.96 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1wj4 h LYS 76 CO 0.06 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 179.80 1wj4 n GLY 77 N -0.94 0.18 3.15 3.86 0.00 -1.10 -5.11 105.19 105.24 1wj4 n GLY 77 Ca 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1wj4 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wj4 s TYR 78 N 0.00 -1.65 0.04 1.61 1.51 -0.98 -5.02 117.35 112.86 1wj4 s TYR 78 Ca 0.00 1.00 -0.30 0.00 -1.01 0.00 0.00 57.07 56.75 1wj4 s TYR 78 Cb 0.00 0.30 -0.05 0.00 -0.11 0.00 0.00 41.96 42.10 1wj4 s TYR 78 CO 0.00 -0.96 1.18 -1.25 -1.11 0.00 0.00 175.55 173.41 1wj4 s PRO 79 N 2.85 4.43 0.20 -1.71 0.04 -1.26 -3.44 135.00 136.11 1wj4 s PRO 79 Ca 0.13 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 1wj4 s PRO 79 Cb -0.09 -3.39 0.14 0.00 0.04 0.00 0.00 34.50 31.20 1wj4 s PRO 79 CO -0.25 -0.26 1.57 -0.97 0.04 0.00 0.00 177.00 177.12 1wj4 h ASN 80 N 6.89 -1.40 -1.68 6.66 -1.24 -1.92 1.73 115.58 124.62 1wj4 h ASN 80 Ca -0.41 0.27 0.49 0.00 0.71 0.00 0.00 56.30 57.36 1wj4 h ASN 80 Cb 1.21 0.70 -0.07 0.00 0.73 0.00 0.00 38.32 40.89 1wj4 h ASN 80 CO 0.81 -0.30 1.30 1.05 -1.29 0.00 0.00 177.43 179.00 1wj4 h GLU 81 N -0.10 0.00 0.00 6.67 4.11 -2.01 -3.01 114.58 120.24 1wj4 h GLU 81 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 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 -0.82 0.00 0.00 0.54 0.07 0.00 0.00 179.01 178.80 1wj4 n ARG 82 N -3.84 0.00 -3.20 1.06 1.74 0.56 -4.84 116.66 108.14 1wj4 n ARG 82 Ca 0.38 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 57.07 1wj4 n ARG 82 Cb 1.81 -0.09 -0.06 0.00 -1.02 0.00 0.00 32.46 33.11 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 -0.16 3.64 0.27 -1.55 0.40 0.86 0.16 117.98 121.60 1wj4 s PHE 83 Ca 0.00 1.15 0.06 0.00 -0.60 0.00 0.00 56.93 57.55 1wj4 s PHE 83 Cb 0.00 -2.63 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 1wj4 s PHE 83 CO 0.00 0.28 0.31 -1.83 0.70 0.00 0.00 175.22 174.68 1wj4 s GLU 84 N 0.09 3.12 -0.19 0.44 -1.05 0.40 -3.57 118.70 117.94 1wj4 s GLU 84 Ca 0.31 -0.97 -0.06 0.00 -0.15 0.00 0.00 54.97 54.10 1wj4 s GLU 84 Cb -0.18 -2.71 -0.03 0.00 -0.44 0.00 0.00 34.13 30.77 1wj4 s GLU 84 CO 0.16 0.32 0.03 -0.51 0.95 0.00 0.00 175.26 176.22 1wj4 s LEU 85 N -3.96 3.53 0.45 1.83 1.43 -1.26 -1.16 118.68 119.54 1wj4 s LEU 85 Ca 0.36 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.46 1wj4 s LEU 85 Cb -0.08 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1wj4 s LEU 85 CO 0.28 0.12 0.23 -0.76 0.23 0.00 0.00 176.35 176.44 1wj4 s LEU 86 N 0.69 2.96 0.01 1.79 1.43 0.19 -0.91 118.68 124.84 1wj4 s LEU 86 Ca 0.02 -1.15 0.05 0.00 -1.03 0.00 0.00 54.13 52.01 1wj4 s LEU 86 Cb -0.14 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1wj4 s LEU 86 CO 0.02 -0.71 -0.15 0.42 0.23 0.00 0.00 176.35 176.16 1wj4 s THR 87 N -2.66 1.18 0.84 5.49 -4.23 -1.03 -0.57 115.64 114.68 1wj4 s THR 87 Ca 0.36 -0.81 -0.16 0.00 -1.18 0.00 0.00 61.69 59.91 1wj4 s THR 87 Cb 0.02 -1.02 -0.07 0.00 1.34 0.00 0.00 72.50 72.76 1wj4 s THR 87 CO 0.21 0.20 -0.05 0.59 -0.54 0.00 0.00 174.62 175.02 1wj4 n ASN 88 N 2.35 -3.43 -3.47 3.99 5.03 -0.95 -3.46 115.26 115.32 1wj4 n ASN 88 Ca -0.16 0.39 -0.48 0.00 0.87 0.00 0.00 54.58 55.21 1wj4 n ASN 88 Cb 0.55 -1.01 -0.07 0.00 -1.02 0.00 0.00 39.78 38.23 1wj4 n ASN 88 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1wj4 n PHE 89 N -2.61 0.90 -1.68 3.10 -1.74 -1.26 -4.07 117.46 110.11 1wj4 n PHE 89 Ca 0.05 0.83 -0.31 0.00 -0.56 0.00 0.00 57.45 57.45 1wj4 n PHE 89 Cb 0.52 -1.62 0.04 0.00 1.52 0.00 0.00 39.48 39.94 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1wj4 s PRO 90 N 1.13 3.04 -0.69 3.97 0.04 -1.26 -5.07 135.00 136.16 1wj4 s PRO 90 Ca 0.74 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 1wj4 s PRO 90 Cb -1.04 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 31.53 1wj4 s PRO 90 CO 0.52 -1.02 1.20 1.03 0.04 0.00 0.00 177.00 178.77 1wj4 s ARG 91 N -4.84 3.25 -0.16 4.56 1.81 -1.24 -4.58 118.95 117.76 1wj4 s ARG 91 Ca 0.59 -0.22 -0.04 0.00 -1.72 0.00 0.00 55.73 54.34 1wj4 s ARG 91 Cb -0.14 -4.15 -0.03 0.00 -0.45 0.00 0.00 34.95 30.18 1wj4 s ARG 91 CO 0.51 -1.97 -0.03 1.03 -0.68 0.00 0.00 175.30 174.16 1wj4 s ARG 92 N 5.26 3.68 -0.92 3.54 0.52 -1.22 -4.90 118.95 124.90 1wj4 s ARG 92 Ca 0.35 -0.51 -0.23 0.00 -0.52 0.00 0.00 55.73 54.82 1wj4 s ARG 92 Cb -0.09 -2.95 0.07 0.00 0.52 0.00 0.00 34.95 32.49 1wj4 s ARG 92 CO 0.17 0.21 1.30 0.15 0.02 0.00 0.00 175.30 177.15 1wj4 s LYS 93 N 0.45 3.49 -0.81 3.54 1.02 -1.26 -2.46 119.74 123.71 1wj4 s LYS 93 Ca -0.03 -1.12 -0.23 0.00 0.02 0.00 0.00 55.97 54.62 1wj4 s LYS 93 Cb -0.14 -4.97 -0.18 0.00 -0.52 0.00 0.00 37.83 32.02 1wj4 s LYS 93 CO 0.03 -2.06 2.37 1.28 -0.92 0.00 0.00 175.35 176.05 1wj4 n LEU 94 N 8.29 1.16 0.03 3.17 4.77 -0.08 -3.45 117.00 130.88 1wj4 n LEU 94 Ca 0.23 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1wj4 n LEU 94 Cb 0.50 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1wj4 n LEU 94 CO 0.63 -2.24 0.00 -0.24 -1.33 0.00 0.00 177.39 174.21 1wj4 n SER 95 N 15.59 -0.54 -0.39 -1.43 2.88 -1.26 -4.47 113.62 124.00 1wj4 n SER 95 Ca 0.51 0.18 -0.08 0.00 -1.33 0.00 0.00 58.87 58.15 1wj4 n SER 95 Cb 0.37 0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 64.53 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 -1.62 0.00 0.66 2.07 -2.01 -2.72 115.15 111.53 1wj4 h HIS 96 Ca 0.00 0.12 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 1wj4 h HIS 96 Cb 0.00 0.84 0.00 0.00 2.57 0.00 0.00 27.41 30.82 1wj4 h HIS 96 CO 0.00 -0.39 0.00 1.47 -3.07 0.00 0.00 177.93 175.94 1wj4 n LEU 97 N -5.33 0.00 0.00 6.12 -0.00 -1.26 -4.96 117.00 111.57 1wj4 n LEU 97 Ca 0.04 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 1wj4 n LEU 97 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 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 -0.44 0.00 -0.99 1.45 8.00 -1.03 -4.99 116.55 118.56 1wj4 n ASP 98 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 1wj4 n ASP 98 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.07 0.59 0.63 1.24 4.01 -1.26 -3.78 117.16 117.52 1wj4 n TYR 99 Ca 0.00 -0.30 0.11 0.00 -0.16 0.00 0.00 57.90 57.56 1wj4 n TYR 99 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.08 1wj4 n TYR 99 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1wj4 n ASP 100 N 1.10 0.63 -2.61 7.72 2.03 -1.26 -3.13 116.55 121.02 1wj4 n ASP 100 Ca 0.19 -0.22 -0.06 0.00 0.52 0.00 0.00 54.79 55.22 1wj4 n ASP 100 Cb 0.49 0.68 0.05 0.00 -0.72 0.00 0.00 41.12 41.61 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 -1.91 0.00 -4.14 5.18 -5.35 -1.25 -4.86 119.36 107.03 1wj4 n ILE 101 Ca 0.03 -0.12 -0.30 0.00 -0.27 0.00 0.00 62.75 62.09 1wj4 n ILE 101 Cb 0.42 -1.27 -0.08 0.00 -1.74 0.00 0.00 39.64 36.96 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 -1.43 3.92 0.57 7.28 -4.23 -1.26 -2.91 115.64 117.58 1wj4 s THR 102 Ca 0.14 -1.03 0.46 0.00 -1.18 0.00 0.00 61.69 60.08 1wj4 s THR 102 Cb -0.01 -2.86 0.67 0.00 1.34 0.00 0.00 72.50 71.64 1wj4 s THR 102 CO 0.10 0.12 1.52 -0.07 -0.54 0.00 0.00 174.62 175.75 1wj4 h LEU 103 N 3.47 0.00 0.08 4.79 3.38 0.18 1.36 115.31 128.56 1wj4 h LEU 103 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wj4 h LEU 103 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1wj4 h LEU 103 CO 0.59 0.00 -0.04 -0.61 0.09 0.00 0.00 178.44 178.47 1wj4 h GLN 104 N 0.00 -0.10 -0.44 1.13 4.15 -1.81 0.90 115.11 118.94 1wj4 h GLN 104 Ca 0.85 0.01 0.08 0.00 0.77 0.00 0.00 58.65 60.35 1wj4 h GLN 104 Cb 3.60 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 31.22 1wj4 h GLN 104 CO -0.01 0.46 -0.36 0.93 -1.93 0.00 0.00 178.83 177.92 1wj4 h GLU 105 N -0.80 -0.25 -0.41 1.69 5.08 0.15 0.90 114.58 120.94 1wj4 h GLU 105 Ca -0.01 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1wj4 h GLU 105 Cb 0.60 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1wj4 h GLU 105 CO 0.02 -0.16 0.32 0.00 -1.00 0.00 0.00 179.01 178.18 1wj4 h ALA 106 N 0.71 2.32 0.00 3.43 0.00 -1.47 -3.45 119.26 120.80 1wj4 h ALA 106 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wj4 h ALA 106 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wj4 h ALA 106 CO -0.58 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 178.55 1wj4 n GLY 107 N -1.59 1.22 0.11 0.00 0.00 0.31 -4.97 105.19 100.27 1wj4 n GLY 107 Ca 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 1wj4 n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wj4 h LEU 108 N 0.00 0.00-10.03 0.99 -0.00 -0.98 -3.46 115.31 101.83 1wj4 h LEU 108 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.39 1wj4 h LEU 108 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 1wj4 h LEU 108 CO 0.00 0.66 0.10 0.00 -0.00 0.00 0.00 178.44 179.21 1wj4 h PRO 110 N 2.13 -0.25 -5.70 0.00 0.13 -1.95 -3.48 132.00 122.89 1wj4 h PRO 110 Ca -0.48 0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 1wj4 h PRO 110 Cb 1.18 0.06 -0.26 0.00 0.13 0.00 0.00 31.00 32.10 1wj4 h PRO 110 CO 0.65 0.02 -0.78 -0.65 -0.23 0.00 0.00 178.00 177.01 1wj4 s GLN 111 N -2.80 3.02 0.02 0.86 1.11 -1.22 -2.61 119.66 118.05 1wj4 s GLN 111 Ca -0.08 -0.72 -0.12 0.00 0.01 0.00 0.00 55.36 54.45 1wj4 s GLN 111 Cb 0.00 -2.50 0.01 0.00 -1.01 0.00 0.00 33.01 29.52 1wj4 s GLN 111 CO 0.28 0.36 0.26 -2.00 0.01 0.00 0.00 175.29 174.20 1wj4 s GLU 112 N -0.04 0.70 -0.39 2.91 2.56 -0.76 -4.96 118.70 118.71 1wj4 s GLU 112 Ca -0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 54.97 54.39 1wj4 s GLU 112 Cb -0.14 0.30 0.04 0.00 2.00 0.00 0.00 34.13 36.33 1wj4 s GLU 112 CO 0.04 -0.21 0.23 0.99 -0.56 0.00 0.00 175.26 175.76 1wj4 s THR 113 N -2.06 4.56 -0.23 -1.70 2.01 -1.26 -2.09 115.64 114.86 1wj4 s THR 113 Ca -0.09 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.72 1wj4 s THR 113 Cb -0.03 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1wj4 s THR 113 CO -0.01 -0.32 0.59 -0.69 -0.69 0.00 0.00 174.62 173.51 1wj4 s VAL 114 N 1.53 5.03 -0.13 3.82 1.01 -0.47 -2.23 120.40 128.95 1wj4 s VAL 114 Ca 0.02 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.02 1wj4 s VAL 114 Cb -0.20 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1wj4 s VAL 114 CO 0.06 0.08 0.08 -0.36 0.00 0.00 0.00 175.10 174.95 1wj4 s PHE 115 N 2.20 3.36 -0.19 5.22 0.40 0.27 -0.08 117.98 129.15 1wj4 s PHE 115 Ca 0.26 0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 56.75 1wj4 s PHE 115 Cb -0.16 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.37 1wj4 s PHE 115 CO 0.09 0.45 0.23 0.08 0.70 0.00 0.00 175.22 176.78 1wj4 s VAL 116 N -0.47 5.33 0.16 -0.44 1.01 0.41 0.54 120.40 126.95 1wj4 s VAL 116 Ca 0.10 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1wj4 s VAL 116 Cb -0.12 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1wj4 s VAL 116 CO 0.02 0.38 0.23 0.00 0.00 0.00 0.00 175.10 175.72 1wj4 s GLN 117 N 0.68 1.12 -0.16 2.72 -2.07 -0.31 -3.27 119.66 118.36 1wj4 s GLN 117 Ca 0.12 -1.27 -0.29 0.00 -1.82 0.00 0.00 55.36 52.10 1wj4 s GLN 117 Cb -0.13 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.12 1wj4 s GLN 117 CO 0.03 -0.39 1.36 -1.21 -1.32 0.00 0.00 175.29 173.76 1wj4 s GLU 118 N -4.00 4.16 0.58 9.60 2.02 -1.26 0.15 118.70 129.95 1wj4 s GLU 118 Ca 0.20 1.72 -0.17 0.00 0.02 0.00 0.00 54.97 56.74 1wj4 s GLU 118 Cb 0.04 -3.83 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1wj4 s GLU 118 CO 0.02 -0.81 1.07 0.45 0.02 0.00 0.00 175.26 176.00 1wj4 s SER 119 N 2.45 5.79 0.00 -0.19 0.15 0.41 -4.72 113.70 117.60 1wj4 s SER 119 Ca 0.59 1.89 0.00 0.00 0.70 0.00 0.00 55.95 59.13 1wj4 s SER 119 Cb -0.23 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1wj4 s SER 119 CO 0.19 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.08 1wj4 n GLY 120 N -0.70 2.55 2.60 9.45 0.00 -1.26 -4.86 105.19 112.97 1wj4 n GLY 120 Ca 0.09 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 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 2.61 0.21 1.61 -0.04 -1.26 -4.66 135.00 133.47 1wj4 n PRO 121 Ca 0.00 -1.90 -0.17 0.00 -0.04 0.00 0.00 63.50 61.40 1wj4 n PRO 121 Cb 0.00 -2.74 -0.09 0.00 -0.04 0.00 0.00 33.50 30.63 1wj4 n PRO 121 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wj4 h SER 122 N 6.08 -1.38 -4.00 3.54 0.87 -1.95 -3.48 113.55 113.23 1wj4 h SER 122 Ca 0.62 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 1wj4 h SER 122 Cb 0.33 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1wj4 h SER 122 CO 1.69 -0.60 -0.65 -0.24 -0.53 0.00 0.00 176.83 176.50 1wj4 n SER 123 N -5.52 -6.75 0.00 6.23 2.88 -1.26 -5.16 113.62 104.04 1wj4 n SER 123 Ca -0.10 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1wj4 n SER 123 Cb 0.43 -3.75 0.00 0.00 -0.75 0.00 0.00 64.21 60.14 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42