#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 -0.04 0.29 1.61 0.01 -1.26 -5.19 113.70 109.12 1wj4 s SER 2 Ca 0.00 -0.13 -0.15 0.00 1.31 0.00 0.00 55.95 56.98 1wj4 s SER 2 Cb 0.00 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.38 1wj4 s SER 2 CO 0.00 -0.26 0.62 -0.94 0.41 0.00 0.00 173.24 173.07 1wj4 s SER 3 N -3.11 -0.04 0.00 2.44 1.04 -1.26 -5.19 113.70 107.59 1wj4 s SER 3 Ca 0.17 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1wj4 s SER 3 Cb 0.05 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1wj4 s SER 3 CO -0.04 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1wj4 n GLY 4 N -0.45 2.00 3.80 7.32 0.00 -1.26 -5.19 105.19 111.40 1wj4 n GLY 4 Ca -0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 1wj4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wj4 s SER 5 N -0.16 -0.07 -0.07 1.61 0.15 -1.26 -5.19 113.70 108.71 1wj4 s SER 5 Ca 0.00 -0.47 -0.31 0.00 0.70 0.00 0.00 55.95 55.87 1wj4 s SER 5 Cb 0.00 0.43 0.11 0.00 -1.71 0.00 0.00 66.02 64.85 1wj4 s SER 5 CO 0.00 -0.82 1.36 -0.94 1.20 0.00 0.00 173.24 174.04 1wj4 s SER 6 N -3.19 -0.01 0.00 5.45 1.04 -1.26 -5.18 113.70 110.55 1wj4 s SER 6 Ca 0.17 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1wj4 s SER 6 Cb -0.01 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1wj4 s SER 6 CO 0.02 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1wj4 n GLY 7 N -0.78 3.89 3.14 7.32 0.00 -1.26 -5.14 105.19 112.36 1wj4 n GLY 7 Ca -0.00 -2.04 0.05 0.00 0.00 0.00 0.00 46.02 44.03 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 1.66 -0.46 0.05 2.61 -1.32 -1.26 -5.16 115.64 111.77 1wj4 s THR 8 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 1wj4 s THR 8 Cb 0.00 -0.43 -0.02 0.00 -1.51 0.00 0.00 72.50 70.54 1wj4 s THR 8 CO 0.00 0.00 -0.14 0.00 -2.21 0.00 0.00 174.62 172.27 1wj4 s ALA 9 N 2.87 1.15 -0.29 11.08 0.00 -1.26 -5.14 121.76 130.17 1wj4 s ALA 9 Ca 0.23 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 1wj4 s ALA 9 Cb -0.04 -0.14 0.16 0.00 0.00 0.00 0.00 23.12 23.10 1wj4 s ALA 9 CO -0.23 0.19 1.17 -0.08 0.00 0.00 0.00 175.76 176.81 1wj4 s THR 10 N -1.04 0.00 -0.29 0.00 -1.32 -1.26 -5.17 115.64 106.56 1wj4 s THR 10 Ca -0.00 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.28 1wj4 s THR 10 Cb -0.09 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.07 1wj4 s THR 10 CO 0.02 0.00 1.16 0.20 -2.21 0.00 0.00 174.62 173.78 1wj4 s ASN 11 N 0.50 -0.29 -0.03 8.08 0.01 -1.26 -5.18 114.94 116.77 1wj4 s ASN 11 Ca 0.01 0.49 -0.30 0.00 -0.71 0.00 0.00 52.86 52.35 1wj4 s ASN 11 Cb -0.04 0.86 0.11 0.00 0.41 0.00 0.00 41.25 42.59 1wj4 s ASN 11 CO -0.11 -0.08 1.31 -1.00 -1.51 0.00 0.00 177.10 175.71 1wj4 s HIS 12 N 0.77 -0.00 -0.20 2.20 3.76 -1.26 -5.19 115.29 115.36 1wj4 s HIS 12 Ca -0.03 -0.09 -0.33 0.00 -0.15 0.00 0.00 55.06 54.46 1wj4 s HIS 12 Cb -0.04 0.54 0.15 0.00 1.11 0.00 0.00 32.58 34.34 1wj4 s HIS 12 CO -0.12 -0.22 1.20 1.14 -0.85 0.00 0.00 174.74 175.89 1wj4 s GLN 13 N -2.17 0.31 -0.29 1.40 0.00 -1.26 -5.18 119.66 112.46 1wj4 s GLN 13 Ca 0.22 -0.05 -0.23 0.00 -0.00 0.00 0.00 55.36 55.30 1wj4 s GLN 13 Cb 0.03 0.14 0.16 0.00 0.00 0.00 0.00 33.01 33.34 1wj4 s GLN 13 CO -0.03 -0.12 1.22 0.20 0.00 0.00 0.00 175.29 176.56 1wj4 s GLY 14 N -1.77 0.18 -0.17 2.60 0.00 -1.26 -5.15 107.32 101.75 1wj4 s GLY 14 Ca 0.08 3.24 -0.11 0.00 0.00 0.00 0.00 44.72 47.93 1wj4 s GLY 14 CO -0.05 2.10 0.19 1.08 0.00 0.00 0.00 173.10 176.42 1wj4 s LEU 15 N 0.39 4.26 1.05 0.66 2.01 -1.26 -5.09 118.68 120.70 1wj4 s LEU 15 Ca 0.02 0.38 -0.17 0.00 0.01 0.00 0.00 54.13 54.37 1wj4 s LEU 15 Cb -0.04 -2.19 0.22 0.00 0.01 0.00 0.00 46.19 44.19 1wj4 s LEU 15 CO -0.12 0.20 1.20 -2.16 1.01 0.00 0.00 176.35 176.49 1wj4 s PRO 16 N 0.09 0.00 -0.30 1.29 0.04 -1.26 -5.10 135.00 129.78 1wj4 s PRO 16 Ca 0.12 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 60.86 1wj4 s PRO 16 Cb -0.12 -1.75 0.18 0.00 0.04 0.00 0.00 34.50 32.85 1wj4 s PRO 16 CO 0.01 -2.88 1.12 0.00 0.04 0.00 0.00 177.00 175.29 1wj4 s ALA 17 N -3.42 -2.63 -0.13 8.56 0.00 -1.26 -5.17 121.76 117.71 1wj4 s ALA 17 Ca 0.71 2.04 -0.14 0.00 0.00 0.00 0.00 51.96 54.57 1wj4 s ALA 17 Cb -0.08 -1.95 0.04 0.00 0.00 0.00 0.00 23.12 21.13 1wj4 s ALA 17 CO 0.54 -0.52 0.39 0.08 0.00 0.00 0.00 175.76 176.25 1wj4 s VAL 18 N 1.51 0.01 0.00 0.00 1.01 -1.26 -5.16 120.40 116.51 1wj4 s VAL 18 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1wj4 s VAL 18 Cb -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1wj4 s VAL 18 CO -0.14 -0.03 0.00 -0.90 0.00 0.00 0.00 175.10 174.03 1wj4 n ASP 19 N 2.62 0.00 -2.45 3.32 5.68 -1.26 -5.11 116.55 119.35 1wj4 n ASP 19 Ca -0.14 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.13 1wj4 n ASP 19 Cb 0.57 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.54 1wj4 n ASP 19 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1wj4 n SER 20 N 0.00 -5.59 0.09 -1.12 2.88 -1.26 -5.00 113.62 103.62 1wj4 n SER 20 Ca 0.00 1.58 0.00 0.00 -1.33 0.00 0.00 58.87 59.12 1wj4 n SER 20 Cb 0.00 -4.67 0.00 0.00 -0.75 0.00 0.00 64.21 58.79 1wj4 n SER 20 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wj4 n GLU 21 N 1.88 0.00 -1.64 -1.46 2.13 -1.26 -5.12 120.64 115.17 1wj4 n GLU 21 Ca -0.14 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.22 1wj4 n GLU 21 Cb 0.21 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.89 1wj4 n GLU 21 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1wj4 n ILE 22 N -2.96 0.89 -3.58 6.31 5.41 -1.26 -4.97 119.36 119.21 1wj4 n ILE 22 Ca 0.00 -0.22 -0.17 0.00 1.00 0.00 0.00 62.75 63.36 1wj4 n ILE 22 Cb 0.00 -1.24 -0.14 0.00 -0.71 0.00 0.00 39.64 37.55 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 0.33 -0.15 -0.81 1.39 1.43 -1.26 -5.06 118.68 114.54 1wj4 s LEU 23 Ca 0.70 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1wj4 s LEU 23 Cb -0.73 0.44 0.29 0.00 0.03 0.00 0.00 46.19 46.22 1wj4 s LEU 23 CO 0.50 -0.28 1.11 -0.62 0.23 0.00 0.00 176.35 177.29 1wj4 n GLU 24 N 5.33 3.52 -3.66 1.70 1.02 -1.26 -4.97 120.64 122.32 1wj4 n GLU 24 Ca -0.05 -4.67 -0.06 0.00 -0.02 0.00 0.00 57.16 52.36 1wj4 n GLU 24 Cb 0.50 -2.36 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 1wj4 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wj4 s MET 25 N -2.89 0.55 0.50 3.49 0.23 -1.26 -5.16 119.30 114.75 1wj4 s MET 25 Ca 0.38 1.18 -0.20 0.00 -1.03 0.00 0.00 55.69 56.03 1wj4 s MET 25 Cb 0.14 0.35 -0.08 0.00 -1.53 0.00 0.00 34.83 33.71 1wj4 s MET 25 CO 0.00 -0.18 1.04 -1.25 -2.03 0.00 0.00 175.02 172.60 1wj4 s PRO 26 N 2.12 3.75 -0.26 3.16 0.04 -1.26 -4.98 135.00 137.57 1wj4 s PRO 26 Ca -0.07 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1wj4 s PRO 26 Cb -0.09 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wj4 s PRO 26 CO -0.17 -0.47 1.33 -1.25 0.04 0.00 0.00 177.00 176.48 1wj4 s PRO 27 N -3.35 3.98 0.39 0.56 0.04 -1.26 -4.66 135.00 130.69 1wj4 s PRO 27 Ca 0.67 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1wj4 s PRO 27 Cb -0.16 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1wj4 s PRO 27 CO 0.22 -1.04 0.00 -1.91 0.04 0.00 0.00 177.00 174.31 1wj4 n GLU 28 N 7.18 -4.88 -3.84 4.56 2.13 -1.26 -4.92 120.64 119.62 1wj4 n GLU 28 Ca 0.15 3.54 -0.28 0.00 0.66 0.00 0.00 57.16 61.23 1wj4 n GLU 28 Cb 0.46 -3.91 -0.12 0.00 0.27 0.00 0.00 31.44 28.14 1wj4 n GLU 28 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1wj4 s LYS 29 N -2.47 2.10 0.34 5.31 2.20 -1.26 -5.02 119.74 120.94 1wj4 s LYS 29 Ca 0.00 -2.97 0.00 0.00 -0.36 0.00 0.00 55.97 52.64 1wj4 s LYS 29 Cb 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1wj4 s LYS 29 CO 0.00 -1.26 0.00 0.00 -0.36 0.00 0.00 175.35 173.73 1wj4 n ALA 30 N 2.40 -1.89 -3.16 3.13 0.00 -1.26 -5.08 120.51 114.64 1wj4 n ALA 30 Ca 0.17 0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.96 1wj4 n ALA 30 Cb 0.36 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.76 -0.02 0.00 0.00 2.15 -1.26 -5.18 116.67 109.60 1wj4 s ASP 31 Ca 0.00 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.00 1wj4 s ASP 31 Cb 0.00 1.02 0.00 0.00 -0.30 0.00 0.00 42.92 43.64 1wj4 s ASP 31 CO 0.00 -0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 1wj4 n GLY 32 N 4.77 1.85 3.40 2.66 0.00 -1.26 -5.08 105.19 111.54 1wj4 n GLY 32 Ca -0.07 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 1wj4 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wj4 s VAL 33 N -1.71 5.30 -0.15 1.61 1.01 -1.26 -4.95 120.40 120.25 1wj4 s VAL 33 Ca 0.00 -2.43 -0.13 0.00 0.00 0.00 0.00 61.98 59.42 1wj4 s VAL 33 Cb 0.00 -4.69 0.04 0.00 0.00 0.00 0.00 36.38 31.73 1wj4 s VAL 33 CO 0.00 -1.33 0.39 0.54 0.00 0.00 0.00 175.10 174.70 1wj4 s VAL 34 N 0.94 -0.00 0.05 2.92 0.11 -1.26 -5.07 120.40 118.09 1wj4 s VAL 34 Ca 0.30 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1wj4 s VAL 34 Cb -0.07 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1wj4 s VAL 34 CO -0.07 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 172.91 1wj4 n GLU 35 N 2.95 -3.52 0.00 1.54 2.13 -1.26 -5.07 120.64 117.41 1wj4 n GLU 35 Ca -0.14 2.70 0.00 0.00 0.66 0.00 0.00 57.16 60.39 1wj4 n GLU 35 Cb 0.57 -3.14 0.00 0.00 0.27 0.00 0.00 31.44 29.14 1wj4 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wj4 n GLY 36 N 1.22 -1.32 3.15 8.31 0.00 -1.26 -5.07 105.19 110.23 1wj4 n GLY 36 Ca 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.64 1wj4 n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wj4 n ILE 37 N 0.00 -2.06 -1.30 -0.61 5.41 -1.26 -4.37 119.36 115.16 1wj4 n ILE 37 Ca 0.00 0.47 -0.56 0.00 1.00 0.00 0.00 62.75 63.65 1wj4 n ILE 37 Cb 0.00 -2.97 -0.12 0.00 -0.71 0.00 0.00 39.64 35.84 1wj4 n ILE 37 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1wj4 n ASP 38 N 1.21 0.71 -4.63 4.38 5.68 -1.26 -4.63 116.55 118.02 1wj4 n ASP 38 Ca -0.01 0.58 -0.63 0.00 -0.50 0.00 0.00 54.79 54.24 1wj4 n ASP 38 Cb 0.50 -0.92 -0.09 0.00 -1.14 0.00 0.00 41.12 39.47 1wj4 n ASP 38 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1wj4 n VAL 39 N 6.70 0.10 -2.29 2.12 3.14 -1.26 -4.74 118.33 122.09 1wj4 n VAL 39 Ca 0.56 -0.03 -0.38 0.00 -2.96 0.00 0.00 64.34 61.53 1wj4 n VAL 39 Cb -0.02 -0.78 -0.02 0.00 -1.06 0.00 0.00 33.84 31.96 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1wj4 n ASN 40 N 5.40 4.15 0.00 6.55 3.02 -1.26 -4.64 115.26 128.48 1wj4 n ASN 40 Ca 0.35 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 1wj4 n ASN 40 Cb 0.01 -1.71 0.00 0.00 -0.61 0.00 0.00 39.78 37.47 1wj4 n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wj4 n GLY 41 N 5.40 -0.85 3.66 7.41 0.00 -1.26 -5.11 105.19 114.43 1wj4 n GLY 41 Ca 0.48 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.19 4.23 0.15 1.61 0.04 -1.26 -5.02 135.00 134.56 1wj4 s PRO 42 Ca 0.00 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 1wj4 s PRO 42 Cb 0.00 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1wj4 s PRO 42 CO 0.00 -0.72 0.33 0.21 0.04 0.00 0.00 177.00 176.86 1wj4 s LYS 43 N 3.52 3.50 -0.28 4.56 2.20 -1.26 -4.49 119.74 127.49 1wj4 s LYS 43 Ca 0.55 -0.39 -0.19 0.00 -0.36 0.00 0.00 55.97 55.59 1wj4 s LYS 43 Cb -0.22 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1wj4 s LYS 43 CO 0.15 0.48 0.55 0.00 -0.36 0.00 0.00 175.35 176.17 1wj4 s ALA 44 N -1.73 3.57 -0.39 3.13 0.00 0.60 -4.85 121.76 122.10 1wj4 s ALA 44 Ca 0.37 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.49 1wj4 s ALA 44 Cb -0.12 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1wj4 s ALA 44 CO 0.28 -0.86 0.68 -0.65 0.00 0.00 0.00 175.76 175.22 1wj4 s GLN 45 N 2.40 3.58 -0.12 0.00 -0.21 -1.02 0.06 119.66 124.35 1wj4 s GLN 45 Ca 0.22 -0.00 -0.01 0.00 0.02 0.00 0.00 55.36 55.58 1wj4 s GLN 45 Cb -0.15 -3.85 -0.03 0.00 1.00 0.00 0.00 33.01 29.98 1wj4 s GLN 45 CO 0.10 -0.86 -0.06 -0.51 -2.12 0.00 0.00 175.29 171.84 1wj4 s LEU 46 N 2.87 3.16 -0.48 2.90 2.01 -0.29 -1.39 118.68 127.46 1wj4 s LEU 46 Ca 0.26 -0.10 -0.08 0.00 0.01 0.00 0.00 54.13 54.21 1wj4 s LEU 46 Cb -0.14 -1.73 0.12 0.00 0.01 0.00 0.00 46.19 44.46 1wj4 s LEU 46 CO 0.17 0.25 0.35 -0.32 1.01 0.00 0.00 176.35 177.81 1wj4 s MET 47 N -0.13 2.47 -0.27 1.70 -2.45 -0.77 0.58 119.30 120.42 1wj4 s MET 47 Ca 0.02 -1.83 -0.29 0.00 -1.25 0.00 0.00 55.69 52.33 1wj4 s MET 47 Cb -0.13 -3.90 -0.01 0.00 1.25 0.00 0.00 34.83 32.04 1wj4 s MET 47 CO 0.03 -1.19 1.50 -0.51 1.05 0.00 0.00 175.02 175.90 1wj4 s LEU 48 N 1.23 3.84 -0.42 4.11 2.01 0.15 -0.60 118.68 128.99 1wj4 s LEU 48 Ca 0.07 1.39 -0.06 0.00 0.01 0.00 0.00 54.13 55.54 1wj4 s LEU 48 Cb -0.25 -3.54 0.10 0.00 0.01 0.00 0.00 46.19 42.51 1wj4 s LEU 48 CO -0.01 -1.24 0.24 -0.13 1.01 0.00 0.00 176.35 176.21 1wj4 s ARG 49 N 4.59 2.32 0.68 1.70 1.81 0.23 0.51 118.95 130.79 1wj4 s ARG 49 Ca 0.66 -1.66 -0.12 0.00 -1.72 0.00 0.00 55.73 52.89 1wj4 s ARG 49 Cb -0.21 -3.69 0.01 0.00 -0.45 0.00 0.00 34.95 30.61 1wj4 s ARG 49 CO 0.28 -1.03 1.07 0.71 -0.68 0.00 0.00 175.30 175.65 1wj4 s TYR 50 N 1.28 2.95 0.00 -0.53 2.02 0.29 0.68 117.35 124.04 1wj4 s TYR 50 Ca 0.05 1.48 0.20 0.00 -0.37 0.00 0.00 57.07 58.43 1wj4 s TYR 50 Cb -0.23 -2.96 0.57 0.00 -0.40 0.00 0.00 41.96 38.93 1wj4 s TYR 50 CO -0.01 -1.34 1.67 -1.00 -1.57 0.00 0.00 175.55 173.30 1wj4 h PRO 51 N -0.45 0.00 0.00 -1.71 0.13 -1.81 -2.93 132.00 125.23 1wj4 h PRO 51 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wj4 h PRO 51 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wj4 h PRO 51 CO 0.56 0.32 0.13 0.22 -0.23 0.00 0.00 178.00 179.00 1wj4 h ASP 52 N 0.00 0.00 0.00 1.44 1.82 -1.92 -3.44 116.42 114.32 1wj4 h ASP 52 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1wj4 h ASP 52 Cb 0.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.00 1wj4 h ASP 52 CO 0.04 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 1wj4 n GLY 53 N -1.20 0.70 3.91 -0.78 0.00 -1.11 -5.09 105.19 101.63 1wj4 n GLY 53 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.54 3.59 0.26 1.61 1.02 -1.25 -4.93 119.74 119.49 1wj4 s LYS 54 Ca 0.00 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.86 1wj4 s LYS 54 Cb 0.00 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1wj4 s LYS 54 CO 0.00 0.36 0.06 -0.98 -0.92 0.00 0.00 175.35 173.87 1wj4 s ARG 55 N -3.22 1.41 -0.27 1.68 1.70 -1.26 -0.55 118.95 118.43 1wj4 s ARG 55 Ca 0.41 -1.75 -0.13 0.00 -0.47 0.00 0.00 55.73 53.80 1wj4 s ARG 55 Cb -0.11 -0.42 0.10 0.00 -0.57 0.00 0.00 34.95 33.95 1wj4 s ARG 55 CO 0.28 -0.23 0.64 -2.00 -1.08 0.00 0.00 175.30 172.91 1wj4 s GLU 56 N -3.97 0.61 0.16 3.89 2.12 0.18 -4.96 118.70 116.73 1wj4 s GLU 56 Ca 0.35 1.28 -0.18 0.00 0.36 0.00 0.00 54.97 56.77 1wj4 s GLU 56 Cb 0.07 0.43 -0.07 0.00 0.26 0.00 0.00 34.13 34.82 1wj4 s GLU 56 CO 0.12 -0.18 0.63 -1.14 -0.54 0.00 0.00 175.26 174.16 1wj4 s GLN 57 N 2.19 4.18 0.23 4.30 0.74 -1.26 0.30 119.66 130.33 1wj4 s GLN 57 Ca -0.08 0.74 0.01 0.00 0.05 0.00 0.00 55.36 56.07 1wj4 s GLN 57 Cb -0.08 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 1wj4 s GLN 57 CO -0.19 0.50 0.14 0.96 -0.55 0.00 0.00 175.29 176.15 1wj4 s ILE 58 N -1.37 0.14 -0.11 -2.34 -4.36 0.20 -4.93 121.20 108.43 1wj4 s ILE 58 Ca 0.37 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 1wj4 s ILE 58 Cb -0.17 -2.53 0.04 0.00 1.25 0.00 0.00 42.46 41.05 1wj4 s ILE 58 CO 0.20 0.00 0.03 -0.89 0.24 0.00 0.00 174.94 174.52 1wj4 s THR 59 N -3.97 0.26 0.12 8.37 2.01 -1.26 -1.14 115.64 120.04 1wj4 s THR 59 Ca 0.39 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.42 1wj4 s THR 59 Cb 0.07 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 1wj4 s THR 59 CO 0.14 0.06 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.23 1wj4 s LEU 60 N 2.00 2.41 0.17 4.42 1.43 0.11 -4.92 118.68 124.30 1wj4 s LEU 60 Ca 0.03 -0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 52.02 1wj4 s LEU 60 Cb -0.14 -0.56 -0.08 0.00 0.03 0.00 0.00 46.19 45.45 1wj4 s LEU 60 CO -0.06 -0.14 1.12 -2.16 0.23 0.00 0.00 176.35 175.34 1wj4 s PRO 61 N -2.70 4.57 0.27 1.29 0.04 -1.26 0.22 135.00 137.43 1wj4 s PRO 61 Ca 0.09 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 1wj4 s PRO 61 Cb -0.05 -3.28 0.62 0.00 0.04 0.00 0.00 34.50 31.83 1wj4 s PRO 61 CO 0.03 0.03 1.66 0.93 0.04 0.00 0.00 177.00 179.69 1wj4 h GLU 62 N 5.23 0.23 -0.04 4.56 5.08 -1.91 1.63 114.58 129.36 1wj4 h GLU 62 Ca -0.44 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1wj4 h GLU 62 Cb 1.21 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1wj4 h GLU 62 CO 0.73 0.15 0.05 -0.56 -1.00 0.00 0.00 179.01 178.39 1wj4 h GLN 63 N 0.24 0.00 -6.36 2.33 3.07 -1.93 1.41 115.11 113.86 1wj4 h GLN 63 Ca 0.50 0.00 -0.64 0.00 0.09 0.00 0.00 58.65 58.60 1wj4 h GLN 63 Cb 0.96 0.00 0.06 0.00 0.08 0.00 0.00 27.48 28.58 1wj4 h GLN 63 CO -0.60 0.00 0.49 0.00 0.09 0.00 0.00 178.83 178.81 1wj4 n ALA 64 N -2.29 -0.28 -1.81 0.06 0.00 0.56 -4.39 120.51 112.36 1wj4 n ALA 64 Ca -0.02 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 1wj4 n ALA 64 Cb 0.14 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 1wj4 n ALA 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wj4 s LYS 65 N 0.29 4.30 0.41 0.00 -0.14 -1.26 0.18 119.74 123.52 1wj4 s LYS 65 Ca 0.79 2.28 0.23 0.00 -1.36 0.00 0.00 55.97 57.91 1wj4 s LYS 65 Cb -0.85 -3.07 1.24 0.00 -1.68 0.00 0.00 37.83 33.47 1wj4 s LYS 65 CO 0.46 -0.30 1.69 1.25 -0.76 0.00 0.00 175.35 177.70 1wj4 h LEU 66 N 3.88 0.37 -1.46 3.17 7.12 -1.61 2.11 115.31 128.90 1wj4 h LEU 66 Ca -0.48 0.12 0.09 0.00 0.13 0.00 0.00 57.88 57.74 1wj4 h LEU 66 Cb 1.22 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 41.39 1wj4 h LEU 66 CO 0.69 -0.07 0.46 0.25 -0.13 0.00 0.00 178.44 179.64 1wj4 h LEU 67 N 0.25 0.55 -0.32 2.25 5.85 -1.83 -0.80 115.31 121.26 1wj4 h LEU 67 Ca 0.71 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.51 1wj4 h LEU 67 Cb 1.99 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.84 1wj4 h LEU 67 CO -0.40 0.34 -0.16 0.00 -0.34 0.00 0.00 178.44 177.88 1wj4 h ALA 68 N 1.64 0.08 -0.33 1.25 0.00 0.32 1.67 119.26 123.89 1wj4 h ALA 68 Ca 0.31 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 1wj4 h ALA 68 Cb 0.42 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1wj4 h ALA 68 CO -0.11 -0.55 -0.15 1.25 0.00 0.00 0.00 179.25 179.69 1wj4 h LEU 69 N -0.11 0.58 -0.19 0.00 5.85 -1.24 -1.39 115.31 118.81 1wj4 h LEU 69 Ca 0.16 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1wj4 h LEU 69 Cb 0.36 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1wj4 h LEU 69 CO -0.39 0.76 0.04 0.58 -0.34 0.00 0.00 178.44 179.09 1wj4 h VAL 70 N 0.54 1.21 -0.62 1.05 2.07 0.45 -2.20 116.25 118.75 1wj4 h VAL 70 Ca 0.09 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1wj4 h VAL 70 Cb 0.58 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1wj4 h VAL 70 CO 0.04 0.20 0.41 0.11 0.02 0.00 0.00 177.57 178.35 1wj4 h LYS 71 N 0.12 0.76 0.35 1.57 1.57 0.26 0.39 116.57 121.59 1wj4 h LYS 71 Ca 0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1wj4 h LYS 71 Cb 0.27 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1wj4 h LYS 71 CO 0.00 0.50 -0.23 1.25 -0.57 0.00 0.00 179.45 180.40 1wj4 h HIS 72 N 0.78 -0.61 -0.26 -1.35 2.76 -0.79 0.36 115.15 116.04 1wj4 h HIS 72 Ca 0.24 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.48 1wj4 h HIS 72 Cb -0.00 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1wj4 h HIS 72 CO -0.00 -0.34 0.29 0.28 -1.30 0.00 0.00 177.93 176.86 1wj4 h VAL 73 N -0.55 0.42 -0.00 5.26 2.07 -1.20 0.40 116.25 122.64 1wj4 h VAL 73 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1wj4 h VAL 73 Cb 0.44 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1wj4 h VAL 73 CO 0.04 0.00 -0.00 -0.61 0.02 0.00 0.00 177.57 177.02 1wj4 h GLN 74 N 0.00 0.01 -0.16 1.57 4.15 0.02 -2.38 115.11 118.31 1wj4 h GLN 74 Ca 0.12 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1wj4 h GLN 74 Cb 0.70 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 1wj4 h GLN 74 CO -0.00 0.46 -0.18 1.03 -1.93 0.00 0.00 178.83 178.21 1wj4 h SER 75 N -0.45 0.25 -0.77 -0.69 0.87 0.15 -2.04 113.55 110.88 1wj4 h SER 75 Ca 0.00 -0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1wj4 h SER 75 Cb 0.46 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.30 1wj4 h SER 75 CO 0.00 0.46 0.51 0.11 -0.53 0.00 0.00 176.83 177.37 1wj4 h LYS 76 N 0.24 0.75 0.00 2.24 1.79 -0.92 -3.45 116.57 117.23 1wj4 h LYS 76 Ca 0.05 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wj4 h LYS 76 Cb 0.47 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1wj4 h LYS 76 CO 0.03 0.50 0.00 0.41 -1.08 0.00 0.00 179.45 179.31 1wj4 n GLY 77 N -1.44 0.51 3.11 3.86 0.00 -0.79 -5.10 105.19 105.35 1wj4 n GLY 77 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.14 -1.68 0.12 1.61 1.51 -0.91 -5.02 117.35 112.84 1wj4 s TYR 78 Ca 0.00 0.80 -0.30 0.00 -1.01 0.00 0.00 57.07 56.56 1wj4 s TYR 78 Cb 0.00 0.23 -0.06 0.00 -0.11 0.00 0.00 41.96 42.01 1wj4 s TYR 78 CO 0.00 -1.08 1.14 -1.25 -1.11 0.00 0.00 175.55 173.25 1wj4 s PRO 79 N 2.61 4.52 0.16 -1.71 0.04 -1.26 -3.40 135.00 135.96 1wj4 s PRO 79 Ca 0.11 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1wj4 s PRO 79 Cb -0.10 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1wj4 s PRO 79 CO -0.24 -0.08 1.61 -0.97 0.04 0.00 0.00 177.00 177.36 1wj4 h ASN 80 N 5.93 -1.00 -1.48 6.66 -1.24 -1.91 0.76 115.58 123.30 1wj4 h ASN 80 Ca -0.43 0.18 0.43 0.00 0.71 0.00 0.00 56.30 57.19 1wj4 h ASN 80 Cb 1.21 0.47 -0.06 0.00 0.73 0.00 0.00 38.32 40.68 1wj4 h ASN 80 CO 0.76 -0.31 1.27 1.05 -1.29 0.00 0.00 177.43 178.91 1wj4 h GLU 81 N -0.25 0.00 0.00 6.67 4.11 -2.02 -2.95 114.58 120.15 1wj4 h GLU 81 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1wj4 h GLU 81 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1wj4 h GLU 81 CO -0.51 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.11 1wj4 n ARG 82 N -3.66 0.00 -3.38 1.06 1.74 0.21 -4.88 116.66 107.76 1wj4 n ARG 82 Ca 0.33 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.04 1wj4 n ARG 82 Cb 1.72 -0.17 -0.06 0.00 -1.02 0.00 0.00 32.46 32.92 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 -0.39 3.48 0.25 -1.55 0.40 0.19 0.98 117.98 121.33 1wj4 s PHE 83 Ca 0.00 0.78 0.03 0.00 -0.60 0.00 0.00 56.93 57.14 1wj4 s PHE 83 Cb 0.00 -2.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.00 1wj4 s PHE 83 CO 0.00 0.16 0.40 -1.83 0.70 0.00 0.00 175.22 174.65 1wj4 s GLU 84 N 0.68 3.46 -0.10 0.44 -1.05 0.60 -3.49 118.70 119.23 1wj4 s GLU 84 Ca 0.23 -0.58 -0.08 0.00 -0.15 0.00 0.00 54.97 54.38 1wj4 s GLU 84 Cb -0.14 -2.84 -0.04 0.00 -0.44 0.00 0.00 34.13 30.66 1wj4 s GLU 84 CO 0.08 0.37 0.18 -0.51 0.95 0.00 0.00 175.26 176.34 1wj4 s LEU 85 N -3.87 4.40 0.32 1.83 1.43 -1.26 -0.15 118.68 121.38 1wj4 s LEU 85 Ca 0.36 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 1wj4 s LEU 85 Cb -0.10 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1wj4 s LEU 85 CO 0.31 0.39 0.11 -0.76 0.23 0.00 0.00 176.35 176.63 1wj4 s LEU 86 N -1.01 1.84 0.50 1.79 1.43 0.17 -1.43 118.68 121.97 1wj4 s LEU 86 Ca 0.16 -1.50 0.01 0.00 -1.03 0.00 0.00 54.13 51.78 1wj4 s LEU 86 Cb -0.13 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.04 1wj4 s LEU 86 CO 0.05 -0.79 0.03 0.42 0.23 0.00 0.00 176.35 176.29 1wj4 s THR 87 N -3.50 0.99 0.48 5.49 -4.23 -0.85 0.40 115.64 114.42 1wj4 s THR 87 Ca 0.34 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1wj4 s THR 87 Cb 0.06 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1wj4 s THR 87 CO 0.15 0.00 0.81 0.21 -0.54 0.00 0.00 174.62 175.26 1wj4 s ASN 88 N -3.84 6.32 -0.15 3.99 3.84 -1.20 -4.32 114.94 119.58 1wj4 s ASN 88 Ca 0.07 1.04 -0.35 0.00 0.21 0.00 0.00 52.86 53.83 1wj4 s ASN 88 Cb 0.01 -2.30 -0.17 0.00 -0.55 0.00 0.00 41.25 38.25 1wj4 s ASN 88 CO 0.04 -0.57 1.04 2.22 -2.79 0.00 0.00 177.10 177.04 1wj4 n PHE 89 N -2.08 0.86 -1.67 0.43 -1.74 -1.26 -4.08 117.46 107.93 1wj4 n PHE 89 Ca 0.02 0.90 -0.31 0.00 -0.56 0.00 0.00 57.45 57.50 1wj4 n PHE 89 Cb 0.55 -1.77 0.04 0.00 1.52 0.00 0.00 39.48 39.82 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 0.89 3.02 -0.00 3.97 0.04 -1.26 -5.09 135.00 136.57 1wj4 s PRO 90 Ca 0.80 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 1wj4 s PRO 90 Cb -1.12 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 1wj4 s PRO 90 CO 0.55 -1.03 1.38 1.03 0.04 0.00 0.00 177.00 178.96 1wj4 s ARG 91 N -4.86 4.29 -0.04 4.56 1.81 -1.26 -4.79 118.95 118.68 1wj4 s ARG 91 Ca 0.59 1.93 -0.01 0.00 -1.72 0.00 0.00 55.73 56.52 1wj4 s ARG 91 Cb -0.14 -3.56 0.03 0.00 -0.45 0.00 0.00 34.95 30.83 1wj4 s ARG 91 CO 0.51 -0.55 0.06 1.03 -0.68 0.00 0.00 175.30 175.67 1wj4 s ARG 92 N 2.33 -0.06 0.14 3.54 0.52 -1.26 -4.98 118.95 119.18 1wj4 s ARG 92 Ca 0.63 0.33 -0.26 0.00 -0.52 0.00 0.00 55.73 55.90 1wj4 s ARG 92 Cb -0.31 -0.41 -0.07 0.00 0.52 0.00 0.00 34.95 34.68 1wj4 s ARG 92 CO 0.26 -0.28 0.81 0.15 0.02 0.00 0.00 175.30 176.27 1wj4 s LYS 93 N 1.81 4.60 -0.97 3.54 1.02 -1.26 -2.02 119.74 126.45 1wj4 s LYS 93 Ca 0.00 1.20 -0.10 0.00 0.02 0.00 0.00 55.97 57.09 1wj4 s LYS 93 Cb -0.12 -3.30 0.25 0.00 -0.52 0.00 0.00 37.83 34.14 1wj4 s LYS 93 CO -0.03 0.46 0.94 -0.51 -0.92 0.00 0.00 175.35 175.29 1wj4 s LEU 94 N -0.77 6.42 0.00 3.17 2.01 -0.51 -4.38 118.68 124.62 1wj4 s LEU 94 Ca 0.38 -3.23 0.00 0.00 0.01 0.00 0.00 54.13 51.29 1wj4 s LEU 94 Cb -0.23 -2.18 0.00 0.00 0.01 0.00 0.00 46.19 43.79 1wj4 s LEU 94 CO 0.26 -0.39 0.00 -0.24 1.01 0.00 0.00 176.35 176.99 1wj4 n SER 95 N 3.19 0.00 0.04 2.29 2.88 -1.26 -4.57 113.62 116.19 1wj4 n SER 95 Ca 0.19 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.63 1wj4 n SER 95 Cb 0.42 0.31 -0.04 0.00 -0.75 0.00 0.00 64.21 64.15 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 -0.41 0.00 0.66 2.07 -2.00 -3.32 115.15 112.15 1wj4 h HIS 96 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1wj4 h HIS 96 Cb 0.00 0.19 0.00 0.00 2.57 0.00 0.00 27.41 30.17 1wj4 h HIS 96 CO 0.00 -0.23 0.00 1.47 -3.07 0.00 0.00 177.93 176.10 1wj4 n LEU 97 N -5.29 0.00 -3.75 6.12 -0.00 -1.26 -5.00 117.00 107.82 1wj4 n LEU 97 Ca -0.04 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.01 1wj4 n LEU 97 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1wj4 n LEU 97 CO 0.24 0.00 1.20 -1.81 -0.00 0.00 0.00 177.39 177.02 1wj4 s ASP 98 N -2.76 -0.01 0.00 1.45 1.01 -1.25 -5.03 116.67 110.08 1wj4 s ASP 98 Ca 0.00 -0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.26 1wj4 s ASP 98 Cb 0.00 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.96 1wj4 s ASP 98 CO 0.00 -0.05 0.38 -1.22 0.21 0.00 0.00 175.17 174.49 1wj4 n TYR 99 N -0.69 0.00 0.72 4.23 4.02 -1.26 -4.50 117.16 119.68 1wj4 n TYR 99 Ca -0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.97 1wj4 n TYR 99 Cb 0.62 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.02 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 -0.36 0.63 -3.44 7.72 2.03 -1.26 -2.98 116.55 118.89 1wj4 n ASP 100 Ca 0.01 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.07 1wj4 n ASP 100 Cb 0.06 0.60 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 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 -1.82 0.00 -4.39 5.18 -5.35 -1.26 -4.85 119.36 106.86 1wj4 n ILE 101 Ca 0.03 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.25 1wj4 n ILE 101 Cb 0.40 -0.84 -0.11 0.00 -1.74 0.00 0.00 39.64 37.35 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 -0.14 2.63 0.60 7.28 -4.23 -1.26 -3.43 115.64 117.10 1wj4 s THR 102 Ca 0.00 -1.98 0.27 0.00 -1.18 0.00 0.00 61.69 58.80 1wj4 s THR 102 Cb 0.00 -2.30 0.38 0.00 1.34 0.00 0.00 72.50 71.93 1wj4 s THR 102 CO 0.00 -0.16 1.52 -0.07 -0.54 0.00 0.00 174.62 175.37 1wj4 h LEU 103 N 2.95 0.00 0.09 4.79 4.07 1.25 0.55 115.31 129.01 1wj4 h LEU 103 Ca -0.46 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.50 1wj4 h LEU 103 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1wj4 h LEU 103 CO 0.52 0.00 -0.04 -0.61 -1.08 0.00 0.00 178.44 177.23 1wj4 h GLN 104 N 0.00 -0.11 -0.51 1.13 4.15 -1.79 0.08 115.11 118.06 1wj4 h GLN 104 Ca 0.38 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.91 1wj4 h GLN 104 Cb 2.28 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 29.89 1wj4 h GLN 104 CO -0.00 0.35 -0.18 0.93 -1.93 0.00 0.00 178.83 177.99 1wj4 h GLU 105 N -0.95 -0.06 -0.00 1.69 5.08 -0.26 1.30 114.58 121.38 1wj4 h GLU 105 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wj4 h GLU 105 Cb 0.51 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1wj4 h GLU 105 CO 0.02 -0.04 0.29 0.00 -1.00 0.00 0.00 179.01 178.27 1wj4 h ALA 106 N 1.36 1.29 -1.09 3.43 0.00 -1.37 -3.45 119.26 119.44 1wj4 h ALA 106 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wj4 h ALA 106 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wj4 h ALA 106 CO -0.56 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 178.81 1wj4 n GLY 107 N -1.20 0.79 0.00 0.00 0.00 0.45 -4.97 105.19 100.26 1wj4 n GLY 107 Ca -0.02 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.54 0.21 -4.88 0.99 7.99 -0.00 -4.91 117.00 115.85 1wj4 n LEU 108 Ca 0.00 -0.23 -0.32 0.00 -0.01 0.00 0.00 56.01 55.44 1wj4 n LEU 108 Cb 0.41 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.66 1wj4 n LEU 108 CO 0.00 0.05 0.16 0.00 -1.51 0.00 0.00 177.39 176.09 1wj4 h PRO 110 N 2.85 -0.18 -4.97 0.00 0.13 -1.94 -3.47 132.00 124.41 1wj4 h PRO 110 Ca -0.47 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 1wj4 h PRO 110 Cb 1.17 0.04 -0.35 0.00 0.13 0.00 0.00 31.00 32.00 1wj4 h PRO 110 CO 0.69 0.21 -0.85 -0.65 -0.23 0.00 0.00 178.00 177.17 1wj4 s GLN 111 N -2.92 2.75 0.16 0.86 1.11 -1.21 -2.43 119.66 117.98 1wj4 s GLN 111 Ca -0.11 -0.74 0.02 0.00 0.01 0.00 0.00 55.36 54.54 1wj4 s GLN 111 Cb -0.00 -2.35 -0.05 0.00 -1.01 0.00 0.00 33.01 29.60 1wj4 s GLN 111 CO 0.39 -0.15 -0.03 -2.00 0.01 0.00 0.00 175.29 173.51 1wj4 s GLU 112 N 1.18 1.06 -0.40 2.91 2.56 -0.49 -4.96 118.70 120.57 1wj4 s GLU 112 Ca 0.01 -1.49 -0.09 0.00 0.00 0.00 0.00 54.97 53.39 1wj4 s GLU 112 Cb -0.14 -0.33 0.06 0.00 2.00 0.00 0.00 34.13 35.72 1wj4 s GLU 112 CO -0.08 -0.08 0.23 0.99 -0.56 0.00 0.00 175.26 175.76 1wj4 s THR 113 N -3.59 4.25 -0.23 -1.70 2.01 -1.26 -1.85 115.64 113.26 1wj4 s THR 113 Ca 0.21 -1.26 -0.24 0.00 0.31 0.00 0.00 61.69 60.70 1wj4 s THR 113 Cb 0.05 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 1wj4 s THR 113 CO 0.02 -0.42 0.80 -0.69 -0.69 0.00 0.00 174.62 173.64 1wj4 s VAL 114 N 1.45 4.86 -0.10 3.82 1.01 0.23 -3.24 120.40 128.43 1wj4 s VAL 114 Ca 0.02 1.51 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 1wj4 s VAL 114 Cb -0.22 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1wj4 s VAL 114 CO 0.03 -0.04 -0.01 -0.36 0.00 0.00 0.00 175.10 174.72 1wj4 s PHE 115 N 2.69 3.13 -0.38 5.22 0.40 0.16 0.76 117.98 129.96 1wj4 s PHE 115 Ca 0.34 0.09 -0.17 0.00 -0.60 0.00 0.00 56.93 56.59 1wj4 s PHE 115 Cb -0.15 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.55 1wj4 s PHE 115 CO 0.08 0.35 0.43 0.08 0.70 0.00 0.00 175.22 176.86 1wj4 s VAL 116 N -0.57 5.10 0.05 -0.44 1.01 0.21 0.46 120.40 126.22 1wj4 s VAL 116 Ca 0.09 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1wj4 s VAL 116 Cb -0.12 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1wj4 s VAL 116 CO 0.02 -0.28 -0.21 -1.58 0.00 0.00 0.00 175.10 173.05 1wj4 s GLN 117 N 2.15 1.41 -0.13 2.72 0.74 0.79 -3.44 119.66 123.89 1wj4 s GLN 117 Ca 0.13 -0.99 -0.29 0.00 0.05 0.00 0.00 55.36 54.26 1wj4 s GLN 117 Cb -0.17 -1.55 -0.05 0.00 1.10 0.00 0.00 33.01 32.35 1wj4 s GLN 117 CO 0.13 0.39 1.79 -1.21 -0.55 0.00 0.00 175.29 175.84 1wj4 s GLU 118 N -1.27 3.85 0.19 1.67 2.02 -1.26 0.22 118.70 124.12 1wj4 s GLU 118 Ca 0.08 2.04 -0.32 0.00 0.02 0.00 0.00 54.97 56.79 1wj4 s GLU 118 Cb -0.09 -4.10 -0.12 0.00 0.10 0.00 0.00 34.13 29.92 1wj4 s GLU 118 CO 0.02 -1.25 1.76 0.45 0.02 0.00 0.00 175.26 176.26 1wj4 s SER 119 N 4.71 6.38 0.00 -0.19 0.15 0.28 -4.76 113.70 120.26 1wj4 s SER 119 Ca 0.80 2.86 0.00 0.00 0.70 0.00 0.00 55.95 60.31 1wj4 s SER 119 Cb -0.32 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.40 1wj4 s SER 119 CO 0.33 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1wj4 n GLY 120 N 4.05 -3.19 3.58 9.45 0.00 -1.26 -4.69 105.19 113.13 1wj4 n GLY 120 Ca 0.16 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 3.23 -0.80 1.61 0.04 -1.26 -4.89 135.00 132.93 1wj4 s PRO 121 Ca 0.00 -1.46 -0.25 0.00 0.04 0.00 0.00 61.00 59.33 1wj4 s PRO 121 Cb 0.00 -5.37 -0.15 0.00 0.04 0.00 0.00 34.50 29.02 1wj4 s PRO 121 CO 0.00 -3.06 2.40 0.43 0.04 0.00 0.00 177.00 176.81 1wj4 n SER 122 N 11.35 1.62 -4.71 6.66 7.64 -1.26 -4.88 113.62 130.04 1wj4 n SER 122 Ca 0.45 -1.42 -0.40 0.00 1.01 0.00 0.00 58.87 58.51 1wj4 n SER 122 Cb 0.47 -1.59 0.02 0.00 -1.01 0.00 0.00 64.21 62.09 1wj4 n SER 122 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wj4 n SER 123 N 17.90 2.58 0.00 6.43 3.41 -1.26 -5.23 113.62 137.45 1wj4 n SER 123 Ca 0.48 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 60.16 1wj4 n SER 123 Cb 0.41 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49