#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 -0.99 1.61 3.41 -1.26 -5.17 113.62 111.22 1wj4 n SER 2 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1wj4 n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1wj4 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wj4 n SER 3 N 0.00 -5.37 0.00 4.04 7.64 -1.26 -5.10 113.62 113.58 1wj4 n SER 3 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1wj4 n SER 3 Cb 0.00 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.13 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 -2.71 3.77 3.65 0.23 0.00 -1.26 -5.20 105.19 103.68 1wj4 n GLY 4 Ca -0.02 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1wj4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj4 s SER 5 N 0.00 -0.04 0.14 1.61 0.01 -1.26 -5.19 113.70 108.96 1wj4 s SER 5 Ca 0.00 -0.13 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 1wj4 s SER 5 Cb 0.00 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.45 1wj4 s SER 5 CO 0.00 -0.27 1.01 -0.55 0.41 0.00 0.00 173.24 173.84 1wj4 s SER 6 N -3.08 -0.14 0.31 2.44 0.15 -1.26 -5.19 113.70 106.94 1wj4 s SER 6 Ca 0.16 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.45 1wj4 s SER 6 Cb 0.05 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1wj4 s SER 6 CO -0.04 -0.84 0.27 -0.83 1.20 0.00 0.00 173.24 173.00 1wj4 s GLY 7 N -3.01 2.15 0.22 9.45 0.00 -1.26 -5.18 107.32 109.69 1wj4 s GLY 7 Ca 0.14 -1.99 -0.22 0.00 0.00 0.00 0.00 44.72 42.65 1wj4 s GLY 7 CO 0.02 -1.43 0.71 -1.08 0.00 0.00 0.00 173.10 171.32 1wj4 s THR 8 N -3.53 0.00 0.29 0.90 -1.32 -1.26 -5.19 115.64 105.53 1wj4 s THR 8 Ca 0.40 -0.65 -0.02 0.00 -1.21 0.00 0.00 61.69 60.22 1wj4 s THR 8 Cb 0.03 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.33 1wj4 s THR 8 CO 0.25 0.00 0.35 0.00 -2.21 0.00 0.00 174.62 173.01 1wj4 s ALA 9 N -3.79 0.94 -0.13 11.08 0.00 -1.26 -5.18 121.76 123.42 1wj4 s ALA 9 Ca 0.08 -1.58 -0.33 0.00 0.00 0.00 0.00 51.96 50.13 1wj4 s ALA 9 Cb -0.04 1.27 0.13 0.00 0.00 0.00 0.00 23.12 24.48 1wj4 s ALA 9 CO 0.00 -0.73 1.10 -0.08 0.00 0.00 0.00 175.76 176.06 1wj4 s THR 10 N -3.56 0.00 0.17 0.00 -1.32 -1.26 -5.19 115.64 104.48 1wj4 s THR 10 Ca 0.33 -0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.75 1wj4 s THR 10 Cb 0.02 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 1wj4 s THR 10 CO 0.18 0.00 0.22 0.20 -2.21 0.00 0.00 174.62 173.01 1wj4 s ASN 11 N -2.28 0.11 0.21 8.08 -0.87 -1.26 -5.18 114.94 113.75 1wj4 s ASN 11 Ca 0.08 -1.05 -0.22 0.00 -1.57 0.00 0.00 52.86 50.10 1wj4 s ASN 11 Cb -0.01 0.41 0.07 0.00 -0.02 0.00 0.00 41.25 41.70 1wj4 s ASN 11 CO -0.06 -0.87 0.99 -1.38 -2.57 0.00 0.00 177.10 173.21 1wj4 s HIS 12 N -4.03 0.04 0.22 2.20 -3.43 -1.26 -5.19 115.29 103.85 1wj4 s HIS 12 Ca 0.23 -0.46 -0.03 0.00 -0.80 0.00 0.00 55.06 54.00 1wj4 s HIS 12 Cb 0.04 0.71 -0.03 0.00 -1.43 0.00 0.00 32.58 31.87 1wj4 s HIS 12 CO 0.04 -0.99 0.21 -0.65 -2.00 0.00 0.00 174.74 171.34 1wj4 s GLN 13 N -2.38 1.31 -0.03 -0.38 -0.21 -1.26 -5.17 119.66 111.55 1wj4 s GLN 13 Ca 0.19 -1.58 0.00 0.00 0.02 0.00 0.00 55.36 53.99 1wj4 s GLN 13 Cb -0.03 0.31 0.03 0.00 1.00 0.00 0.00 33.01 34.32 1wj4 s GLN 13 CO 0.06 -0.46 0.02 0.20 -2.12 0.00 0.00 175.29 172.98 1wj4 s GLY 14 N -3.15 0.18 0.27 3.09 0.00 -1.26 -5.16 107.32 101.30 1wj4 s GLY 14 Ca 0.36 0.23 0.08 0.00 0.00 0.00 0.00 44.72 45.39 1wj4 s GLY 14 CO 0.12 0.68 0.12 1.08 0.00 0.00 0.00 173.10 175.11 1wj4 s LEU 15 N 1.11 3.51 1.12 0.66 1.02 -1.26 -5.13 118.68 119.71 1wj4 s LEU 15 Ca -0.09 -0.46 -0.19 0.00 0.02 0.00 0.00 54.13 53.41 1wj4 s LEU 15 Cb -0.13 -2.04 0.27 0.00 0.02 0.00 0.00 46.19 44.30 1wj4 s LEU 15 CO -0.02 -0.06 1.24 -2.16 0.02 0.00 0.00 176.35 175.36 1wj4 s PRO 16 N -3.79 -0.62 0.05 1.29 0.04 -1.26 -5.09 135.00 125.62 1wj4 s PRO 16 Ca 0.33 -0.37 0.07 0.00 0.04 0.00 0.00 61.00 61.06 1wj4 s PRO 16 Cb -0.07 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1wj4 s PRO 16 CO 0.23 -3.26 -0.19 0.00 0.04 0.00 0.00 177.00 173.82 1wj4 s ALA 17 N -3.50 1.60 0.01 8.56 0.00 -1.26 -5.14 121.76 122.02 1wj4 s ALA 17 Ca 0.75 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1wj4 s ALA 17 Cb -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1wj4 s ALA 17 CO 0.55 0.34 0.03 0.08 0.00 0.00 0.00 175.76 176.76 1wj4 s VAL 18 N -0.84 0.07 0.04 0.00 1.01 -1.26 -5.16 120.40 114.26 1wj4 s VAL 18 Ca 0.06 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1wj4 s VAL 18 Cb -0.09 -0.25 0.09 0.00 0.00 0.00 0.00 36.38 36.14 1wj4 s VAL 18 CO 0.02 -0.33 0.79 1.51 0.00 0.00 0.00 175.10 177.09 1wj4 s ASP 19 N -1.02 -0.45 0.11 3.32 -4.77 -1.26 -5.13 116.67 107.48 1wj4 s ASP 19 Ca -0.11 0.06 -0.31 0.00 -3.30 0.00 0.00 52.55 48.89 1wj4 s ASP 19 Cb -0.07 0.46 -0.10 0.00 -1.09 0.00 0.00 42.92 42.12 1wj4 s ASP 19 CO -0.00 -0.72 1.84 -0.44 0.70 0.00 0.00 175.17 176.55 1wj4 s SER 20 N -2.42 6.44 -0.15 2.11 0.01 -1.26 -4.90 113.70 113.53 1wj4 s SER 20 Ca 0.02 2.73 -0.12 0.00 1.31 0.00 0.00 55.95 59.89 1wj4 s SER 20 Cb -0.01 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 1wj4 s SER 20 CO -0.09 -1.01 0.06 -0.08 0.41 0.00 0.00 173.24 172.53 1wj4 h GLU 21 N 8.91 0.00 -6.74 12.44 4.22 -2.06 -3.46 114.58 127.89 1wj4 h GLU 21 Ca -0.46 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.45 1wj4 h GLU 21 Cb 1.22 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.54 1wj4 h GLU 21 CO 0.95 0.34 0.86 0.42 -2.18 0.00 0.00 179.01 179.39 1wj4 s ILE 22 N -2.11 2.33 -0.10 2.32 1.01 -1.26 -5.00 121.20 118.39 1wj4 s ILE 22 Ca -0.15 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 1wj4 s ILE 22 Cb 0.02 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1wj4 s ILE 22 CO 0.30 0.04 0.26 -0.76 0.00 0.00 0.00 174.94 174.78 1wj4 s LEU 23 N -0.04 0.80 -0.38 2.97 1.43 -1.26 -5.07 118.68 117.13 1wj4 s LEU 23 Ca 0.64 0.53 0.12 0.00 -1.03 0.00 0.00 54.13 54.39 1wj4 s LEU 23 Cb -0.46 0.85 0.35 0.00 0.03 0.00 0.00 46.19 46.96 1wj4 s LEU 23 CO 0.42 -0.12 0.76 -1.84 0.23 0.00 0.00 176.35 175.80 1wj4 n GLU 24 N 3.38 0.97 -2.15 1.70 0.28 -1.26 -5.12 120.64 118.44 1wj4 n GLU 24 Ca -0.17 -3.27 -0.36 0.00 -0.16 0.00 0.00 57.16 53.20 1wj4 n GLU 24 Cb 0.57 -1.66 0.01 0.00 1.43 0.00 0.00 31.44 31.79 1wj4 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wj4 s MET 25 N -2.23 3.26 0.26 3.44 0.23 -1.26 -4.99 119.30 118.02 1wj4 s MET 25 Ca 0.39 1.74 -0.30 0.00 -1.03 0.00 0.00 55.69 56.49 1wj4 s MET 25 Cb 0.34 -2.04 -0.09 0.00 -1.53 0.00 0.00 34.83 31.51 1wj4 s MET 25 CO -0.08 -0.95 1.08 -1.25 -2.03 0.00 0.00 175.02 171.79 1wj4 s PRO 26 N -3.20 4.66 1.10 3.16 0.04 -1.26 -5.04 135.00 134.45 1wj4 s PRO 26 Ca 0.73 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 63.36 1wj4 s PRO 26 Cb -0.28 -3.21 0.25 0.00 0.04 0.00 0.00 34.50 31.31 1wj4 s PRO 26 CO 0.31 0.22 1.23 -1.25 0.04 0.00 0.00 177.00 177.55 1wj4 s PRO 27 N -1.29 -0.43 -0.30 0.56 0.04 -1.26 -5.09 135.00 127.23 1wj4 s PRO 27 Ca 0.45 -0.30 -0.14 0.00 0.04 0.00 0.00 61.00 61.05 1wj4 s PRO 27 Cb -0.31 -1.71 0.18 0.00 0.04 0.00 0.00 34.50 32.70 1wj4 s PRO 27 CO 0.39 -3.15 1.09 -1.21 0.04 0.00 0.00 177.00 174.17 1wj4 s GLU 28 N -5.70 0.15 0.00 4.56 2.02 -1.26 -5.13 118.70 113.34 1wj4 s GLU 28 Ca 0.73 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.96 1wj4 s GLU 28 Cb -0.06 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.30 1wj4 s GLU 28 CO 0.55 -0.18 0.00 1.63 0.02 0.00 0.00 175.26 177.27 1wj4 n LYS 29 N 5.40 0.00 -2.51 1.61 4.76 -1.26 -4.98 118.16 121.19 1wj4 n LYS 29 Ca -0.04 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.36 1wj4 n LYS 29 Cb 0.55 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.74 1wj4 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wj4 n ALA 30 N -3.00 -3.13 -3.57 7.82 0.00 -1.26 -5.07 120.51 112.30 1wj4 n ALA 30 Ca 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 53.44 54.18 1wj4 n ALA 30 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 1wj4 n ALA 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wj4 s ASP 31 N -1.94 -0.86 0.19 0.00 -1.08 -1.26 -5.17 116.67 106.55 1wj4 s ASP 31 Ca 0.13 1.23 0.08 0.00 -0.52 0.00 0.00 52.55 53.47 1wj4 s ASP 31 Cb -0.04 1.82 -0.04 0.00 -1.46 0.00 0.00 42.92 43.20 1wj4 s ASP 31 CO 0.60 -0.18 -0.16 -0.83 0.52 0.00 0.00 175.17 175.12 1wj4 s GLY 32 N 2.36 1.41 -1.02 2.66 0.00 -1.26 -5.08 107.32 106.39 1wj4 s GLY 32 Ca -0.06 -1.58 -0.13 0.00 0.00 0.00 0.00 44.72 42.95 1wj4 s GLY 32 CO -0.18 -1.66 1.09 0.14 0.00 0.00 0.00 173.10 172.49 1wj4 s VAL 33 N -2.53 5.49 -0.46 1.40 1.01 -1.26 -4.83 120.40 119.21 1wj4 s VAL 33 Ca 0.19 -2.69 0.08 0.00 0.00 0.00 0.00 61.98 59.56 1wj4 s VAL 33 Cb -0.03 -4.66 0.29 0.00 0.00 0.00 0.00 36.38 31.98 1wj4 s VAL 33 CO 0.07 -1.29 0.69 0.55 0.00 0.00 0.00 175.10 175.13 1wj4 n VAL 34 N 3.91 0.64 -4.35 2.92 3.14 -1.26 -5.09 118.33 118.25 1wj4 n VAL 34 Ca 0.24 -4.67 -0.23 0.00 -2.96 0.00 0.00 64.34 56.72 1wj4 n VAL 34 Cb 0.44 -1.39 -0.11 0.00 -1.06 0.00 0.00 33.84 31.72 1wj4 n VAL 34 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1wj4 s GLU 35 N -2.17 1.32 -0.30 1.45 -1.05 -1.26 -4.98 118.70 111.70 1wj4 s GLU 35 Ca 0.40 -1.42 -0.14 0.00 -0.15 0.00 0.00 54.97 53.66 1wj4 s GLU 35 Cb 0.24 -1.45 0.19 0.00 -0.44 0.00 0.00 34.13 32.66 1wj4 s GLU 35 CO -0.09 0.30 1.15 0.20 0.95 0.00 0.00 175.26 177.78 1wj4 s GLY 36 N -2.61 -1.44 1.15 -3.83 0.00 -1.26 -5.16 107.32 94.16 1wj4 s GLY 36 Ca 0.16 1.72 -0.18 0.00 0.00 0.00 0.00 44.72 46.43 1wj4 s GLY 36 CO 0.07 4.40 0.26 0.29 0.00 0.00 0.00 173.10 178.12 1wj4 n ILE 37 N 3.86 0.00 0.00 0.90 -5.35 -1.26 -5.03 119.36 112.48 1wj4 n ILE 37 Ca 0.06 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1wj4 n ILE 37 Cb 0.63 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 1wj4 n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1wj4 n ASP 38 N -2.55 0.00 -4.62 7.28 2.03 -1.26 -5.12 116.55 112.31 1wj4 n ASP 38 Ca 0.01 0.00 -0.63 0.00 0.52 0.00 0.00 54.79 54.69 1wj4 n ASP 38 Cb 0.59 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.91 1wj4 n ASP 38 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wj4 n VAL 39 N 0.00 0.01 -3.62 5.18 3.14 -1.26 -4.91 118.33 116.87 1wj4 n VAL 39 Ca 0.00 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1wj4 n VAL 39 Cb 0.00 -0.27 -0.06 0.00 -1.06 0.00 0.00 33.84 32.45 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 1.46 -0.28 0.45 6.55 2.47 -1.26 -5.16 114.94 119.18 1wj4 s ASN 40 Ca 0.97 0.44 0.00 0.00 0.42 0.00 0.00 52.86 54.70 1wj4 s ASN 40 Cb -1.37 1.14 0.00 0.00 -1.45 0.00 0.00 41.25 39.57 1wj4 s ASN 40 CO 0.68 -0.07 0.00 0.61 -3.72 0.00 0.00 177.10 174.61 1wj4 n GLY 41 N 3.50 -1.72 3.69 1.21 0.00 -1.26 -4.67 105.19 105.94 1wj4 n GLY 41 Ca -0.17 -1.14 -0.42 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 -1.73 4.37 1.35 1.61 0.04 -1.26 -5.02 135.00 134.37 1wj4 s PRO 42 Ca 0.00 1.70 -0.21 0.00 0.04 0.00 0.00 61.00 62.54 1wj4 s PRO 42 Cb 0.00 -3.51 0.33 0.00 0.04 0.00 0.00 34.50 31.36 1wj4 s PRO 42 CO 0.00 -0.40 0.78 1.63 0.04 0.00 0.00 177.00 179.05 1wj4 n LYS 43 N 4.90 -4.02 -4.09 4.56 5.02 -1.26 -4.58 118.16 118.69 1wj4 n LYS 43 Ca 0.10 -1.19 -0.32 0.00 -2.02 0.00 0.00 58.31 54.89 1wj4 n LYS 43 Cb 0.46 -1.88 -0.16 0.00 -0.02 0.00 0.00 35.03 33.43 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 -2.15 2.18 -0.22 7.82 0.00 0.58 -4.84 121.76 125.12 1wj4 s ALA 44 Ca 0.62 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 1wj4 s ALA 44 Cb -0.13 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1wj4 s ALA 44 CO 0.55 -0.38 0.81 -0.65 0.00 0.00 0.00 175.76 176.08 1wj4 s GLN 45 N 1.35 4.21 0.01 0.00 -0.21 -1.08 -0.25 119.66 123.69 1wj4 s GLN 45 Ca 0.05 0.92 0.07 0.00 0.02 0.00 0.00 55.36 56.42 1wj4 s GLN 45 Cb -0.13 -3.63 -0.03 0.00 1.00 0.00 0.00 33.01 30.23 1wj4 s GLN 45 CO -0.12 -0.46 -0.22 -0.51 -2.12 0.00 0.00 175.29 171.86 1wj4 s LEU 46 N 2.62 2.35 -0.47 2.90 2.01 0.09 -1.31 118.68 126.87 1wj4 s LEU 46 Ca 0.35 -0.45 -0.02 0.00 0.01 0.00 0.00 54.13 54.02 1wj4 s LEU 46 Cb -0.16 -1.41 0.13 0.00 0.01 0.00 0.00 46.19 44.76 1wj4 s LEU 46 CO 0.09 0.29 0.27 -0.32 1.01 0.00 0.00 176.35 177.68 1wj4 s MET 47 N -1.04 2.13 -0.21 1.70 -2.45 -0.89 0.56 119.30 119.09 1wj4 s MET 47 Ca 0.12 -2.08 -0.29 0.00 -1.25 0.00 0.00 55.69 52.19 1wj4 s MET 47 Cb -0.10 -3.59 -0.02 0.00 1.25 0.00 0.00 34.83 32.37 1wj4 s MET 47 CO 0.02 -1.10 1.52 -0.51 1.05 0.00 0.00 175.02 176.01 1wj4 s LEU 48 N 0.69 3.97 -0.41 4.11 2.01 0.52 -0.04 118.68 129.54 1wj4 s LEU 48 Ca 0.11 1.61 -0.05 0.00 0.01 0.00 0.00 54.13 55.82 1wj4 s LEU 48 Cb -0.22 -3.53 0.10 0.00 0.01 0.00 0.00 46.19 42.55 1wj4 s LEU 48 CO -0.04 -1.14 0.21 -0.13 1.01 0.00 0.00 176.35 176.27 1wj4 s ARG 49 N 4.39 2.20 0.62 1.70 1.81 -0.29 0.11 118.95 129.48 1wj4 s ARG 49 Ca 0.67 -1.70 -0.15 0.00 -1.72 0.00 0.00 55.73 52.82 1wj4 s ARG 49 Cb -0.24 -3.62 -0.02 0.00 -0.45 0.00 0.00 34.95 30.62 1wj4 s ARG 49 CO 0.26 -1.03 1.08 0.71 -0.68 0.00 0.00 175.30 175.65 1wj4 s TYR 50 N 1.23 2.85 -1.75 -0.53 2.02 0.75 -0.13 117.35 121.79 1wj4 s TYR 50 Ca 0.06 1.53 0.23 0.00 -0.37 0.00 0.00 57.07 58.52 1wj4 s TYR 50 Cb -0.23 -3.07 1.31 0.00 -0.40 0.00 0.00 41.96 39.56 1wj4 s TYR 50 CO -0.02 -1.33 1.77 -0.35 -1.57 0.00 0.00 175.55 174.04 1wj4 n PRO 51 N -2.16 0.56 -0.10 -1.71 -0.04 -1.15 -2.44 135.00 127.96 1wj4 n PRO 51 Ca 0.09 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 1wj4 n PRO 51 Cb 0.52 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.67 1wj4 n PRO 51 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wj4 n ASP 52 N -1.13 1.17 0.00 3.54 2.03 -1.26 -4.85 116.55 116.06 1wj4 n ASP 52 Ca 0.15 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.56 1wj4 n ASP 52 Cb 0.13 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wj4 n GLY 53 N 0.90 2.81 3.86 0.27 0.00 -1.02 -5.01 105.19 107.01 1wj4 n GLY 53 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.29 3.87 0.25 1.61 1.02 -1.25 -4.91 119.74 120.04 1wj4 s LYS 54 Ca 0.00 0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.53 1wj4 s LYS 54 Cb 0.00 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1wj4 s LYS 54 CO 0.00 0.08 0.15 -0.98 -0.92 0.00 0.00 175.35 173.68 1wj4 s ARG 55 N -3.39 1.38 -0.28 1.68 1.70 -1.26 -0.18 118.95 118.61 1wj4 s ARG 55 Ca 0.52 -1.76 -0.25 0.00 -0.47 0.00 0.00 55.73 53.77 1wj4 s ARG 55 Cb -0.10 0.13 0.09 0.00 -0.57 0.00 0.00 34.95 34.50 1wj4 s ARG 55 CO 0.24 -0.42 0.85 -2.00 -1.08 0.00 0.00 175.30 172.89 1wj4 s GLU 56 N -3.98 0.70 0.03 3.89 2.12 0.30 -4.94 118.70 116.81 1wj4 s GLU 56 Ca 0.38 0.84 -0.00 0.00 0.36 0.00 0.00 54.97 56.55 1wj4 s GLU 56 Cb 0.06 0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 1wj4 s GLU 56 CO 0.15 -0.08 0.14 -1.14 -0.54 0.00 0.00 175.26 173.79 1wj4 s GLN 57 N 0.33 3.22 0.28 4.30 0.74 -1.26 0.20 119.66 127.46 1wj4 s GLN 57 Ca 0.01 -0.47 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 1wj4 s GLN 57 Cb -0.05 -2.94 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1wj4 s GLN 57 CO -0.02 0.63 0.32 0.96 -0.55 0.00 0.00 175.29 176.63 1wj4 s ILE 58 N -1.35 0.00 -0.21 -2.34 -4.36 0.19 -4.93 121.20 108.20 1wj4 s ILE 58 Ca 0.28 -1.78 -0.03 0.00 -0.26 0.00 0.00 60.65 58.86 1wj4 s ILE 58 Cb -0.12 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 41.17 1wj4 s ILE 58 CO 0.20 0.00 0.06 -0.89 0.24 0.00 0.00 174.94 174.56 1wj4 s THR 59 N -3.67 0.37 0.29 8.37 2.01 -1.26 -0.73 115.64 121.01 1wj4 s THR 59 Ca 0.34 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.88 1wj4 s THR 59 Cb 0.03 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1wj4 s THR 59 CO 0.17 -0.32 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.95 1wj4 s LEU 60 N 1.92 2.92 0.48 4.42 1.43 0.65 -4.85 118.68 125.66 1wj4 s LEU 60 Ca 0.02 -0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 52.05 1wj4 s LEU 60 Cb -0.17 -1.41 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 1wj4 s LEU 60 CO -0.12 -0.03 1.04 -2.16 0.23 0.00 0.00 176.35 175.30 1wj4 s PRO 61 N -3.62 3.83 0.57 1.29 0.04 -1.26 0.22 135.00 136.06 1wj4 s PRO 61 Ca 0.32 1.37 0.35 0.00 0.04 0.00 0.00 61.00 63.08 1wj4 s PRO 61 Cb -0.05 -2.13 1.57 0.00 0.04 0.00 0.00 34.50 33.94 1wj4 s PRO 61 CO 0.18 -0.41 2.07 0.93 0.04 0.00 0.00 177.00 179.81 1wj4 h GLU 62 N 1.64 0.00 0.00 4.56 5.08 -1.87 -1.70 114.58 122.28 1wj4 h GLU 62 Ca -0.49 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 1wj4 h GLU 62 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1wj4 h GLU 62 CO 0.59 0.03 -0.95 -0.56 -1.00 0.00 0.00 179.01 177.12 1wj4 h GLN 63 N 0.00 0.00 -6.52 2.33 3.07 -1.92 -2.08 115.11 109.99 1wj4 h GLN 63 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.14 1wj4 h GLN 63 Cb 0.40 0.00 0.08 0.00 0.08 0.00 0.00 27.48 28.04 1wj4 h GLN 63 CO 0.00 0.09 0.56 0.00 0.09 0.00 0.00 178.83 179.57 1wj4 n ALA 64 N -2.22 0.69 -1.77 0.06 0.00 -0.64 -4.53 120.51 112.10 1wj4 n ALA 64 Ca -0.02 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 1wj4 n ALA 64 Cb 0.62 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.83 1wj4 n ALA 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wj4 s LYS 65 N -0.21 4.24 0.55 0.00 -0.14 -1.26 -0.93 119.74 121.99 1wj4 s LYS 65 Ca 0.71 2.30 0.35 0.00 -1.36 0.00 0.00 55.97 57.97 1wj4 s LYS 65 Cb -0.70 -3.01 1.51 0.00 -1.68 0.00 0.00 37.83 33.95 1wj4 s LYS 65 CO 0.49 -0.31 1.80 1.25 -0.76 0.00 0.00 175.35 177.81 1wj4 h LEU 66 N 3.20 0.00 -1.66 3.17 5.85 -1.62 1.91 115.31 126.16 1wj4 h LEU 66 Ca -0.50 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1wj4 h LEU 66 Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1wj4 h LEU 66 CO 0.65 0.00 -0.04 0.25 -0.34 0.00 0.00 178.44 178.95 1wj4 h LEU 67 N 0.00 0.14 -0.40 2.25 5.85 -1.86 -1.90 115.31 119.39 1wj4 h LEU 67 Ca 0.51 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.26 1wj4 h LEU 67 Cb 2.13 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 43.09 1wj4 h LEU 67 CO -0.01 0.22 0.15 0.00 -0.34 0.00 0.00 178.44 178.46 1wj4 h ALA 68 N 1.81 0.48 -0.36 1.25 0.00 0.27 1.16 119.26 123.87 1wj4 h ALA 68 Ca 0.04 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1wj4 h ALA 68 Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wj4 h ALA 68 CO 0.01 -0.23 -0.06 1.25 0.00 0.00 0.00 179.25 180.21 1wj4 h LEU 69 N 0.32 0.58 -0.25 0.00 7.12 -1.41 -1.08 115.31 120.59 1wj4 h LEU 69 Ca 0.19 -0.14 -0.08 0.00 0.13 0.00 0.00 57.88 57.98 1wj4 h LEU 69 Cb 0.16 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 1wj4 h LEU 69 CO -0.18 0.69 -0.15 0.58 -0.13 0.00 0.00 178.44 179.25 1wj4 h VAL 70 N 0.56 1.30 -0.12 1.05 2.07 -0.55 -2.62 116.25 117.95 1wj4 h VAL 70 Ca 0.11 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1wj4 h VAL 70 Cb 0.45 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1wj4 h VAL 70 CO 0.02 0.39 0.06 0.11 0.02 0.00 0.00 177.57 178.17 1wj4 h LYS 71 N 0.26 0.15 0.33 1.57 1.57 0.17 0.80 116.57 121.42 1wj4 h LYS 71 Ca 0.05 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1wj4 h LYS 71 Cb 0.67 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1wj4 h LYS 71 CO 0.04 0.12 -0.16 1.25 -0.57 0.00 0.00 179.45 180.14 1wj4 h HIS 72 N 0.16 -0.41 -0.67 -1.35 2.76 -0.86 -1.25 115.15 113.53 1wj4 h HIS 72 Ca 0.04 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.37 1wj4 h HIS 72 Cb 0.02 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1wj4 h HIS 72 CO 0.00 -0.25 0.47 -0.39 -1.30 0.00 0.00 177.93 176.46 1wj4 h VAL 73 N -0.48 0.73 0.31 5.26 -1.51 -1.29 -0.51 116.25 118.75 1wj4 h VAL 73 Ca -0.04 -0.05 -0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1wj4 h VAL 73 Cb 0.34 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.03 1wj4 h VAL 73 CO 0.07 0.03 -0.26 -0.61 -1.23 0.00 0.00 177.57 175.57 1wj4 h GLN 74 N 0.16 -0.56 0.00 5.19 4.15 -0.59 0.06 115.11 123.52 1wj4 h GLN 74 Ca 0.33 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1wj4 h GLN 74 Cb 1.06 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1wj4 h GLN 74 CO -0.05 -0.37 0.00 0.77 -1.93 0.00 0.00 178.83 177.25 1wj4 h SER 75 N -0.58 0.00 -0.29 -0.69 0.02 0.05 -2.27 113.55 109.79 1wj4 h SER 75 Ca -0.02 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1wj4 h SER 75 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1wj4 h SER 75 CO -0.03 0.00 -0.50 0.11 -1.14 0.00 0.00 176.83 175.28 1wj4 h LYS 76 N 0.00 0.84 0.00 3.45 1.79 0.17 -3.47 116.57 119.36 1wj4 h LYS 76 Ca 0.00 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1wj4 h LYS 76 Cb 0.37 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1wj4 h LYS 76 CO 0.00 1.16 0.00 0.41 -1.08 0.00 0.00 179.45 179.94 1wj4 n GLY 77 N 0.34 0.13 3.15 3.86 0.00 -0.12 -5.08 105.19 107.47 1wj4 n GLY 77 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.07 -1.60 0.12 1.61 1.51 -0.80 -5.00 117.35 113.13 1wj4 s TYR 78 Ca 0.00 0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 56.68 1wj4 s TYR 78 Cb 0.00 0.27 -0.07 0.00 -0.11 0.00 0.00 41.96 42.06 1wj4 s TYR 78 CO 0.00 -0.93 1.14 -1.25 -1.11 0.00 0.00 175.55 173.39 1wj4 s PRO 79 N 2.84 4.52 0.06 -1.71 0.04 -1.26 -3.02 135.00 136.47 1wj4 s PRO 79 Ca 0.13 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 1wj4 s PRO 79 Cb -0.08 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 1wj4 s PRO 79 CO -0.25 -0.07 1.29 -0.97 0.04 0.00 0.00 177.00 177.04 1wj4 h ASN 80 N 5.84 -0.89 -1.58 6.66 -1.24 -1.88 1.37 115.58 123.86 1wj4 h ASN 80 Ca -0.43 0.10 0.47 0.00 0.71 0.00 0.00 56.30 57.15 1wj4 h ASN 80 Cb 1.21 0.34 -0.08 0.00 0.73 0.00 0.00 38.32 40.52 1wj4 h ASN 80 CO 0.76 -0.27 1.11 -1.84 -1.29 0.00 0.00 177.43 175.90 1wj4 n GLU 81 N -4.07 -0.01 0.00 6.67 0.28 -1.26 -1.90 120.64 120.35 1wj4 n GLU 81 Ca -0.04 0.97 0.00 0.00 -0.16 0.00 0.00 57.16 57.93 1wj4 n GLU 81 Cb 0.21 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 30.94 1wj4 n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wj4 n ARG 82 N -3.84 0.00 -3.71 3.44 1.74 0.83 -4.88 116.66 110.24 1wj4 n ARG 82 Ca 0.37 0.11 -0.34 0.00 -0.77 0.00 0.00 57.85 57.22 1wj4 n ARG 82 Cb 1.64 -0.48 -0.05 0.00 -1.02 0.00 0.00 32.46 32.55 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 -0.54 3.58 0.24 -1.55 0.40 0.43 -1.23 117.98 119.30 1wj4 s PHE 83 Ca 0.00 0.63 0.09 0.00 -0.60 0.00 0.00 56.93 57.05 1wj4 s PHE 83 Cb 0.00 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1wj4 s PHE 83 CO 0.00 0.58 -0.00 -1.83 0.70 0.00 0.00 175.22 174.67 1wj4 s GLU 84 N -1.84 2.32 -0.08 0.44 -1.05 0.45 -3.54 118.70 115.40 1wj4 s GLU 84 Ca 0.30 -1.33 -0.02 0.00 -0.15 0.00 0.00 54.97 53.77 1wj4 s GLU 84 Cb -0.13 -2.22 -0.03 0.00 -0.44 0.00 0.00 34.13 31.31 1wj4 s GLU 84 CO 0.17 0.39 0.02 -0.51 0.95 0.00 0.00 175.26 176.28 1wj4 s LEU 85 N -3.46 3.67 0.38 1.83 1.02 -1.25 0.26 118.68 121.13 1wj4 s LEU 85 Ca 0.30 0.17 0.04 0.00 0.02 0.00 0.00 54.13 54.65 1wj4 s LEU 85 Cb -0.07 -1.88 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 1wj4 s LEU 85 CO 0.19 0.37 0.07 -0.76 0.02 0.00 0.00 176.35 176.24 1wj4 s LEU 86 N -1.00 2.18 0.00 1.79 1.43 0.32 -3.02 118.68 120.39 1wj4 s LEU 86 Ca 0.14 -1.50 0.01 0.00 -1.03 0.00 0.00 54.13 51.76 1wj4 s LEU 86 Cb -0.11 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.75 1wj4 s LEU 86 CO 0.04 -0.72 0.11 0.35 0.23 0.00 0.00 176.35 176.35 1wj4 n THR 87 N -0.84 0.00 -1.88 5.49 -2.24 0.18 0.58 114.28 115.57 1wj4 n THR 87 Ca -0.05 -0.84 -0.16 0.00 -2.27 0.00 0.00 64.05 60.73 1wj4 n THR 87 Cb 0.66 -0.19 0.10 0.00 -2.10 0.00 0.00 70.33 68.80 1wj4 n THR 87 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wj4 n ASN 88 N -1.73 0.33 -3.23 3.42 4.05 -1.14 -4.36 115.26 112.61 1wj4 n ASN 88 Ca -0.03 -1.43 -0.37 0.00 0.45 0.00 0.00 54.58 53.20 1wj4 n ASN 88 Cb 0.24 -0.52 -0.03 0.00 1.23 0.00 0.00 39.78 40.69 1wj4 n ASN 88 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1wj4 n PHE 89 N -2.79 -0.18 -0.01 1.20 -1.74 -1.26 -2.56 117.46 110.13 1wj4 n PHE 89 Ca 0.10 0.72 -0.17 0.00 -0.56 0.00 0.00 57.45 57.54 1wj4 n PHE 89 Cb 0.35 -1.45 -0.10 0.00 1.52 0.00 0.00 39.48 39.79 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 1.05 0.45 0.00 3.97 0.13 -2.05 -3.44 132.00 132.11 1wj4 h PRO 90 Ca -0.24 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1wj4 h PRO 90 Cb 1.05 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wj4 h PRO 90 CO 0.43 1.09 0.00 -2.13 -0.23 0.00 0.00 178.00 177.15 1wj4 n ARG 91 N -4.22 0.00 -2.07 0.86 0.00 -1.06 -5.09 116.66 105.08 1wj4 n ARG 91 Ca -0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.41 1wj4 n ARG 91 Cb 0.65 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.13 1wj4 n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1wj4 s ARG 92 N 0.00 3.18 0.12 -0.14 0.52 -1.24 -4.80 118.95 116.58 1wj4 s ARG 92 Ca 0.00 1.48 0.08 0.00 -0.52 0.00 0.00 55.73 56.77 1wj4 s ARG 92 Cb 0.00 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 1wj4 s ARG 92 CO 0.00 -0.97 -0.20 0.15 0.02 0.00 0.00 175.30 174.30 1wj4 s LYS 93 N -3.65 1.15 -0.53 3.54 1.02 -1.26 0.48 119.74 120.48 1wj4 s LYS 93 Ca 0.69 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1wj4 s LYS 93 Cb -0.21 -1.35 0.14 0.00 -0.52 0.00 0.00 37.83 35.88 1wj4 s LYS 93 CO 0.33 0.31 0.31 -0.51 -0.92 0.00 0.00 175.35 174.86 1wj4 s LEU 94 N -2.07 3.82 0.00 3.17 2.01 -1.17 -4.72 118.68 119.73 1wj4 s LEU 94 Ca 0.08 -3.09 0.00 0.00 0.01 0.00 0.00 54.13 51.13 1wj4 s LEU 94 Cb -0.09 -1.41 0.00 0.00 0.01 0.00 0.00 46.19 44.70 1wj4 s LEU 94 CO 0.05 -0.21 0.00 -0.24 1.01 0.00 0.00 176.35 176.96 1wj4 n SER 95 N 2.97 0.00 0.06 2.29 2.88 -1.26 -4.65 113.62 115.91 1wj4 n SER 95 Ca 0.10 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 1wj4 n SER 95 Cb 0.34 0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.19 0.00 0.66 2.07 -1.95 -3.38 115.15 112.36 1wj4 h HIS 96 Ca 0.00 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1wj4 h HIS 96 Cb 0.00 0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.04 1wj4 h HIS 96 CO 0.00 0.23 0.00 1.47 -3.07 0.00 0.00 177.93 176.56 1wj4 n LEU 97 N -4.97 0.00 -3.59 6.12 -0.00 -1.26 -4.95 117.00 108.35 1wj4 n LEU 97 Ca -0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.87 1wj4 n LEU 97 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.65 1wj4 n LEU 97 CO 0.30 0.00 0.96 -1.81 -0.00 0.00 0.00 177.39 176.83 1wj4 s ASP 98 N -2.85 -0.19 0.00 1.45 1.01 -1.26 -5.03 116.67 109.80 1wj4 s ASP 98 Ca 0.00 0.10 0.17 0.00 0.71 0.00 0.00 52.55 53.53 1wj4 s ASP 98 Cb 0.00 0.18 0.35 0.00 1.01 0.00 0.00 42.92 44.46 1wj4 s ASP 98 CO 0.00 -0.25 1.27 -1.22 0.21 0.00 0.00 175.17 175.18 1wj4 n TYR 99 N 0.21 0.46 1.00 4.23 4.02 -1.26 -4.15 117.16 121.66 1wj4 n TYR 99 Ca -0.03 -0.31 0.10 0.00 -0.01 0.00 0.00 57.90 57.65 1wj4 n TYR 99 Cb 0.59 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.79 1wj4 n TYR 99 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1wj4 n ASP 100 N 1.07 1.07 -2.46 7.72 2.03 -1.26 -3.06 116.55 121.66 1wj4 n ASP 100 Ca 0.15 -1.03 -0.01 0.00 0.52 0.00 0.00 54.79 54.42 1wj4 n ASP 100 Cb 0.50 0.96 0.01 0.00 -0.72 0.00 0.00 41.12 41.87 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 -1.40 0.00 -4.20 5.18 -5.35 -1.26 -4.85 119.36 107.48 1wj4 n ILE 101 Ca 0.04 -0.02 -0.29 0.00 -0.27 0.00 0.00 62.75 62.21 1wj4 n ILE 101 Cb 0.34 -1.17 -0.09 0.00 -1.74 0.00 0.00 39.64 36.98 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 -1.07 3.55 0.56 7.28 -4.23 -1.26 -3.01 115.64 117.45 1wj4 s THR 102 Ca 0.02 -1.23 0.48 0.00 -1.18 0.00 0.00 61.69 59.79 1wj4 s THR 102 Cb -0.00 -2.68 0.71 0.00 1.34 0.00 0.00 72.50 71.86 1wj4 s THR 102 CO 0.02 0.09 1.53 0.18 -0.54 0.00 0.00 174.62 175.90 1wj4 n LEU 103 N 0.57 0.00 0.05 4.79 4.77 -0.11 0.16 117.00 127.23 1wj4 n LEU 103 Ca -0.12 0.97 -0.11 0.00 -0.03 0.00 0.00 56.01 56.72 1wj4 n LEU 103 Cb 0.53 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1wj4 n LEU 103 CO 0.35 -0.97 0.40 -0.61 -1.33 0.00 0.00 177.39 175.24 1wj4 h GLN 104 N 0.00 -0.21 -0.55 3.23 4.15 -1.82 0.22 115.11 120.13 1wj4 h GLN 104 Ca 0.90 0.01 0.10 0.00 0.77 0.00 0.00 58.65 60.43 1wj4 h GLN 104 Cb 3.71 0.05 -0.11 0.00 0.21 0.00 0.00 27.48 31.33 1wj4 h GLN 104 CO -0.01 0.22 -0.35 0.93 -1.93 0.00 0.00 178.83 177.70 1wj4 h GLU 105 N -0.85 -0.18 -0.34 1.69 5.08 0.12 1.38 114.58 121.46 1wj4 h GLU 105 Ca -0.02 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1wj4 h GLU 105 Cb 0.53 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1wj4 h GLU 105 CO 0.04 -0.12 0.32 0.00 -1.00 0.00 0.00 179.01 178.25 1wj4 h ALA 106 N 0.90 2.10 0.00 3.43 0.00 -1.45 -3.45 119.26 120.78 1wj4 h ALA 106 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wj4 h ALA 106 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wj4 h ALA 106 CO -0.65 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 178.50 1wj4 n GLY 107 N -1.50 1.06 1.86 0.00 0.00 0.47 -4.96 105.19 102.12 1wj4 n GLY 107 Ca 0.05 -0.39 -0.05 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 0.00 5.60 -4.20 0.99 4.77 0.76 -4.88 117.00 120.04 1wj4 n LEU 108 Ca 0.00 -2.91 -0.21 0.00 -0.03 0.00 0.00 56.01 52.86 1wj4 n LEU 108 Cb 0.10 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.34 1wj4 n LEU 108 CO 0.00 0.75 -0.48 0.00 -1.33 0.00 0.00 177.39 176.32 1wj4 h PRO 110 N 4.60 -0.14 -5.26 0.00 0.13 -1.92 -3.47 132.00 125.94 1wj4 h PRO 110 Ca -0.41 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.08 1wj4 h PRO 110 Cb 1.18 0.03 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 1wj4 h PRO 110 CO 0.42 0.33 -0.74 -0.65 -0.23 0.00 0.00 178.00 177.13 1wj4 s GLN 111 N -2.98 3.43 0.03 0.86 1.11 -1.26 -2.63 119.66 118.22 1wj4 s GLN 111 Ca -0.12 -0.65 -0.02 0.00 0.01 0.00 0.00 55.36 54.58 1wj4 s GLN 111 Cb -0.00 -2.74 -0.02 0.00 -1.01 0.00 0.00 33.01 29.24 1wj4 s GLN 111 CO 0.45 0.15 0.00 -2.00 0.01 0.00 0.00 175.29 173.90 1wj4 s GLU 112 N 0.55 0.47 -0.33 2.91 2.56 -0.43 -4.97 118.70 119.46 1wj4 s GLU 112 Ca -0.07 -0.82 -0.13 0.00 0.00 0.00 0.00 54.97 53.95 1wj4 s GLU 112 Cb -0.15 0.17 -0.02 0.00 2.00 0.00 0.00 34.13 36.13 1wj4 s GLU 112 CO 0.03 -0.09 0.27 0.99 -0.56 0.00 0.00 175.26 175.90 1wj4 s THR 113 N -2.46 5.26 0.29 -1.70 2.01 -1.26 -2.10 115.64 115.67 1wj4 s THR 113 Ca -0.06 -0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1wj4 s THR 113 Cb -0.02 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1wj4 s THR 113 CO -0.04 0.00 0.61 -0.69 -0.69 0.00 0.00 174.62 173.81 1wj4 s VAL 114 N 1.81 4.91 -0.17 3.82 1.01 0.95 -2.88 120.40 129.84 1wj4 s VAL 114 Ca 0.08 0.42 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1wj4 s VAL 114 Cb -0.17 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.61 1wj4 s VAL 114 CO 0.11 -0.25 0.15 -0.36 0.00 0.00 0.00 175.10 174.75 1wj4 s PHE 115 N -2.03 -0.03 -0.52 5.22 0.08 0.20 -1.14 117.98 119.76 1wj4 s PHE 115 Ca 0.48 -0.01 -0.28 0.00 0.12 0.00 0.00 56.93 57.24 1wj4 s PHE 115 Cb -0.11 -0.52 0.03 0.00 -0.57 0.00 0.00 43.02 41.85 1wj4 s PHE 115 CO 0.26 -0.52 1.12 0.08 -0.10 0.00 0.00 175.22 176.06 1wj4 s VAL 116 N 2.23 4.17 0.26 -0.44 1.01 0.82 0.12 120.40 128.58 1wj4 s VAL 116 Ca 0.04 0.99 0.10 0.00 0.00 0.00 0.00 61.98 63.12 1wj4 s VAL 116 Cb -0.16 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1wj4 s VAL 116 CO -0.10 -1.12 -0.05 0.00 0.00 0.00 0.00 175.10 173.83 1wj4 s GLN 117 N 4.54 2.16 -0.17 2.72 -2.07 0.72 -2.95 119.66 124.60 1wj4 s GLN 117 Ca 0.44 -1.48 -0.29 0.00 -1.82 0.00 0.00 55.36 52.20 1wj4 s GLN 117 Cb -0.08 -2.08 -0.03 0.00 -1.09 0.00 0.00 33.01 29.73 1wj4 s GLN 117 CO 0.28 0.36 1.54 -1.21 -1.32 0.00 0.00 175.29 174.94 1wj4 s GLU 118 N -3.60 3.99 0.85 9.60 2.02 -1.26 0.17 118.70 130.48 1wj4 s GLU 118 Ca 0.31 1.78 -0.12 0.00 0.02 0.00 0.00 54.97 56.96 1wj4 s GLU 118 Cb -0.06 -3.96 0.11 0.00 0.10 0.00 0.00 34.13 30.31 1wj4 s GLU 118 CO 0.19 -1.05 1.17 0.45 0.02 0.00 0.00 175.26 176.04 1wj4 s SER 119 N 3.46 4.07 0.00 -0.19 0.15 -0.37 -4.78 113.70 116.04 1wj4 s SER 119 Ca 0.68 0.83 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1wj4 s SER 119 Cb -0.26 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 1wj4 s SER 119 CO 0.26 -2.18 0.00 0.61 1.20 0.00 0.00 173.24 173.13 1wj4 n GLY 120 N -2.92 4.69 3.79 9.45 0.00 -1.26 -4.89 105.19 114.05 1wj4 n GLY 120 Ca 0.08 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 3.98 1.25 0.37 1.61 0.04 -1.26 -4.90 135.00 136.09 1wj4 s PRO 121 Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1wj4 s PRO 121 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wj4 s PRO 121 CO 0.00 -2.13 0.00 0.43 0.04 0.00 0.00 177.00 175.34 1wj4 n SER 122 N -3.73 -6.34 -2.33 6.66 7.64 -1.26 -5.02 113.62 109.24 1wj4 n SER 122 Ca 0.07 0.80 -0.02 0.00 1.01 0.00 0.00 58.87 60.73 1wj4 n SER 122 Cb 0.59 -3.47 -0.01 0.00 -1.01 0.00 0.00 64.21 60.30 1wj4 n SER 122 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wj4 n SER 123 N -3.83 -6.52 -0.62 6.43 7.64 -1.26 -5.17 113.62 110.30 1wj4 n SER 123 Ca -0.03 1.60 0.08 0.00 1.01 0.00 0.00 58.87 61.52 1wj4 n SER 123 Cb 0.50 -4.94 0.06 0.00 -1.01 0.00 0.00 64.21 58.82 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64