#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 -0.10 0.28 1.61 0.15 -1.26 -5.19 113.70 109.20 1wj4 s SER 2 Ca 0.00 -0.87 -0.16 0.00 0.70 0.00 0.00 55.95 55.62 1wj4 s SER 2 Cb 0.00 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1wj4 s SER 2 CO 0.00 -1.23 0.62 -0.44 1.20 0.00 0.00 173.24 173.39 1wj4 s SER 3 N -3.00 -0.10 0.00 5.45 0.01 -1.26 -5.18 113.70 109.62 1wj4 s SER 3 Ca 0.19 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1wj4 s SER 3 Cb -0.02 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1wj4 s SER 3 CO 0.09 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1wj4 n GLY 4 N -0.44 5.20 3.69 3.44 0.00 -1.26 -5.19 105.19 110.63 1wj4 n GLY 4 Ca -0.03 -1.18 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 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 1.08 -0.23 0.00 1.61 0.01 -1.26 -5.19 113.70 109.72 1wj4 s SER 5 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1wj4 s SER 5 Cb 0.00 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1wj4 s SER 5 CO 0.00 -0.85 0.00 -1.20 0.41 0.00 0.00 173.24 171.60 1wj4 n SER 6 N -0.42 0.00 -3.79 2.44 7.64 -1.26 -5.19 113.62 113.04 1wj4 n SER 6 Ca -0.07 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.73 1wj4 n SER 6 Cb 0.61 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.79 1wj4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wj4 s GLY 7 N 0.00 -0.13 -0.06 0.23 0.00 -1.26 -5.19 107.32 100.91 1wj4 s GLY 7 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.20 1wj4 s GLY 7 CO 0.00 -0.10 1.17 -1.08 0.00 0.00 0.00 173.10 173.09 1wj4 s THR 8 N -3.90 0.00 0.40 0.90 -1.32 -1.26 -5.19 115.64 105.27 1wj4 s THR 8 Ca 0.10 -0.17 0.03 0.00 -1.21 0.00 0.00 61.69 60.44 1wj4 s THR 8 Cb -0.04 -1.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.39 1wj4 s THR 8 CO 0.03 0.00 0.09 0.00 -2.21 0.00 0.00 174.62 172.53 1wj4 s ALA 9 N -2.62 2.91 -0.27 11.08 0.00 -1.26 -5.16 121.76 126.44 1wj4 s ALA 9 Ca 0.11 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.56 1wj4 s ALA 9 Cb 0.01 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.86 1wj4 s ALA 9 CO -0.04 -0.28 0.62 -0.08 0.00 0.00 0.00 175.76 175.98 1wj4 s THR 10 N -3.19 -0.56 0.52 0.00 -1.32 -1.26 -5.17 115.64 104.67 1wj4 s THR 10 Ca 0.26 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.79 1wj4 s THR 10 Cb 0.04 -0.94 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 1wj4 s THR 10 CO 0.13 0.01 0.72 0.54 -2.21 0.00 0.00 174.62 173.82 1wj4 s ASN 11 N 2.34 5.35 0.05 8.08 2.20 -1.26 -5.13 114.94 126.57 1wj4 s ASN 11 Ca -0.07 -0.18 -0.01 0.00 -0.94 0.00 0.00 52.86 51.66 1wj4 s ASN 11 Cb -0.09 -0.73 -0.04 0.00 -2.00 0.00 0.00 41.25 38.38 1wj4 s ASN 11 CO -0.18 -1.06 -0.02 -1.38 -2.94 0.00 0.00 177.10 171.51 1wj4 s HIS 12 N -2.65 0.49 -0.09 1.54 -3.43 -1.26 -5.15 115.29 104.73 1wj4 s HIS 12 Ca 0.57 -1.01 0.01 0.00 -0.80 0.00 0.00 55.06 53.83 1wj4 s HIS 12 Cb -0.10 -0.37 0.02 0.00 -1.43 0.00 0.00 32.58 30.70 1wj4 s HIS 12 CO 0.37 -0.37 -0.12 -0.65 -2.00 0.00 0.00 174.74 171.97 1wj4 s GLN 13 N -3.73 1.84 0.70 -0.38 -0.21 -1.26 -5.14 119.66 111.49 1wj4 s GLN 13 Ca 0.05 -0.43 -0.09 0.00 0.02 0.00 0.00 55.36 54.91 1wj4 s GLN 13 Cb 0.07 -1.61 0.04 0.00 1.00 0.00 0.00 33.01 32.50 1wj4 s GLN 13 CO -0.09 -0.07 1.05 0.20 -2.12 0.00 0.00 175.29 174.26 1wj4 s GLY 14 N 1.00 1.63 0.52 3.09 0.00 -1.26 -5.06 107.32 107.23 1wj4 s GLY 14 Ca -0.08 -0.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 1wj4 s GLY 14 CO -0.01 -0.25 0.96 1.08 0.00 0.00 0.00 173.10 174.89 1wj4 s LEU 15 N -5.29 3.56 0.96 0.66 2.01 -1.26 -5.06 118.68 114.26 1wj4 s LEU 15 Ca 0.58 1.46 -0.14 0.00 0.01 0.00 0.00 54.13 56.05 1wj4 s LEU 15 Cb -0.11 -4.42 0.17 0.00 0.01 0.00 0.00 46.19 41.84 1wj4 s LEU 15 CO 0.48 -0.63 1.16 -2.16 1.01 0.00 0.00 176.35 176.22 1wj4 s PRO 16 N -4.31 0.70 0.13 1.29 0.04 -1.26 -4.97 135.00 126.63 1wj4 s PRO 16 Ca 0.57 0.12 -0.31 0.00 0.04 0.00 0.00 61.00 61.42 1wj4 s PRO 16 Cb -0.10 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 1wj4 s PRO 16 CO 0.37 -2.46 1.43 0.00 0.04 0.00 0.00 177.00 176.38 1wj4 s ALA 17 N -3.34 3.63 -0.09 8.56 0.00 -1.26 -5.00 121.76 124.27 1wj4 s ALA 17 Ca 0.66 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.77 1wj4 s ALA 17 Cb -0.12 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.49 1wj4 s ALA 17 CO 0.54 -0.65 0.19 0.08 0.00 0.00 0.00 175.76 175.91 1wj4 s VAL 18 N 1.04 -0.19 0.17 0.00 1.01 -1.26 -5.15 120.40 116.03 1wj4 s VAL 18 Ca 0.65 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 1wj4 s VAL 18 Cb -0.39 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 35.73 1wj4 s VAL 18 CO 0.31 0.10 0.76 1.51 0.00 0.00 0.00 175.10 177.78 1wj4 s ASP 19 N 1.79 -0.36 -0.31 3.32 1.47 -1.26 -5.06 116.67 116.27 1wj4 s ASP 19 Ca -0.03 -0.27 -0.08 0.00 1.18 0.00 0.00 52.55 53.34 1wj4 s ASP 19 Cb -0.12 0.59 0.01 0.00 -0.34 0.00 0.00 42.92 43.06 1wj4 s ASP 19 CO -0.07 -1.02 0.32 -0.24 0.68 0.00 0.00 175.17 174.84 1wj4 n SER 20 N -0.40 -6.78 0.04 2.11 2.88 -1.26 -5.03 113.62 105.18 1wj4 n SER 20 Ca -0.09 0.67 -0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1wj4 n SER 20 Cb 0.62 -4.50 -0.00 0.00 -0.75 0.00 0.00 64.21 59.57 1wj4 n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wj4 n GLU 21 N -0.04 0.02 -2.34 -1.46 -0.58 -1.26 -5.05 120.64 109.93 1wj4 n GLU 21 Ca 0.06 0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.47 1wj4 n GLU 21 Cb 0.24 -0.52 -0.01 0.00 -0.57 0.00 0.00 31.44 30.58 1wj4 n GLU 21 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wj4 s ILE 22 N -2.02 3.69 -0.03 -3.67 1.01 -1.26 -4.99 121.20 113.93 1wj4 s ILE 22 Ca -0.01 0.97 -0.29 0.00 0.00 0.00 0.00 60.65 61.32 1wj4 s ILE 22 Cb 0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1wj4 s ILE 22 CO 0.01 -0.31 0.96 -1.48 0.00 0.00 0.00 174.94 174.13 1wj4 s LEU 23 N -3.86 4.34 -0.99 2.97 0.05 -1.26 -4.98 118.68 114.95 1wj4 s LEU 23 Ca 0.67 1.59 -0.04 0.00 0.05 0.00 0.00 54.13 56.40 1wj4 s LEU 23 Cb -0.17 -3.52 0.26 0.00 -2.05 0.00 0.00 46.19 40.71 1wj4 s LEU 23 CO 0.26 -0.29 1.05 -0.62 -0.55 0.00 0.00 176.35 176.21 1wj4 n GLU 24 N 4.12 3.35 -2.25 1.48 1.02 -1.26 -5.05 120.64 122.04 1wj4 n GLU 24 Ca 0.06 -4.51 -0.34 0.00 -0.02 0.00 0.00 57.16 52.35 1wj4 n GLU 24 Cb 0.51 -2.47 -0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 -1.78 3.44 0.74 3.49 0.23 -1.26 -5.03 119.30 119.12 1wj4 s MET 25 Ca 0.31 1.41 -0.11 0.00 -1.03 0.00 0.00 55.69 56.27 1wj4 s MET 25 Cb -0.03 -2.04 0.03 0.00 -1.53 0.00 0.00 34.83 31.27 1wj4 s MET 25 CO -0.05 -0.74 1.08 -1.25 -2.03 0.00 0.00 175.02 172.02 1wj4 s PRO 26 N -3.53 2.57 0.52 3.16 0.04 -1.26 -5.03 135.00 131.47 1wj4 s PRO 26 Ca 0.68 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 1wj4 s PRO 26 Cb -0.19 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1wj4 s PRO 26 CO 0.28 -1.32 1.04 -1.25 0.04 0.00 0.00 177.00 175.79 1wj4 s PRO 27 N -5.09 3.65 0.38 0.56 0.04 -1.26 -5.06 135.00 128.21 1wj4 s PRO 27 Ca 0.59 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.96 1wj4 s PRO 27 Cb -0.14 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 1wj4 s PRO 27 CO 0.55 -0.55 0.54 -1.83 0.04 0.00 0.00 177.00 175.75 1wj4 s GLU 28 N -3.56 3.09 -0.46 4.56 -1.05 -1.26 -5.07 118.70 114.94 1wj4 s GLU 28 Ca 0.66 -0.84 -0.09 0.00 -0.15 0.00 0.00 54.97 54.55 1wj4 s GLU 28 Cb -0.16 -2.73 0.11 0.00 -0.44 0.00 0.00 34.13 30.91 1wj4 s GLU 28 CO 0.26 -0.06 0.32 0.21 0.95 0.00 0.00 175.26 176.94 1wj4 s LYS 29 N -4.31 2.45 -0.70 -4.83 2.47 -1.26 -5.03 119.74 108.54 1wj4 s LYS 29 Ca 0.46 -1.73 -0.16 0.00 -1.56 0.00 0.00 55.97 52.99 1wj4 s LYS 29 Cb -0.10 -3.87 0.16 0.00 -1.46 0.00 0.00 37.83 32.56 1wj4 s LYS 29 CO 0.33 -1.15 0.69 0.00 0.16 0.00 0.00 175.35 175.38 1wj4 s ALA 30 N 1.35 3.77 0.53 3.13 0.00 -1.26 -4.95 121.76 124.34 1wj4 s ALA 30 Ca 0.06 -2.83 0.00 0.00 0.00 0.00 0.00 51.96 49.18 1wj4 s ALA 30 Cb -0.25 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1wj4 s ALA 30 CO -0.01 -2.25 0.00 -3.47 0.00 0.00 0.00 175.76 170.04 1wj4 n ASP 31 N 4.98 -7.71 -4.48 0.00 2.03 -1.26 -4.70 116.55 105.41 1wj4 n ASP 31 Ca 0.01 1.20 -0.53 0.00 0.52 0.00 0.00 54.79 55.99 1wj4 n ASP 31 Cb 0.44 -4.68 -0.05 0.00 -0.72 0.00 0.00 41.12 36.11 1wj4 n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wj4 n GLY 32 N -4.23 -0.78 3.42 0.27 0.00 -1.26 -4.84 105.19 97.77 1wj4 n GLY 32 Ca -0.07 0.55 -0.45 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.43 5.03 -0.12 1.61 1.01 -1.26 -4.70 120.40 121.54 1wj4 s VAL 33 Ca 0.77 -2.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 1wj4 s VAL 33 Cb -1.05 -4.73 0.01 0.00 0.00 0.00 0.00 36.38 30.61 1wj4 s VAL 33 CO 0.56 -1.41 0.16 0.52 0.00 0.00 0.00 175.10 174.93 1wj4 n VAL 34 N 4.88 -3.07 -2.77 2.92 0.31 -1.26 -4.45 118.33 114.89 1wj4 n VAL 34 Ca 0.24 0.48 -0.43 0.00 -0.01 0.00 0.00 64.34 64.62 1wj4 n VAL 34 Cb 0.47 -3.38 -0.03 0.00 -0.91 0.00 0.00 33.84 29.98 1wj4 n VAL 34 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1wj4 s GLU 35 N -1.39 3.79 0.00 5.55 2.12 -1.26 -4.62 118.70 122.89 1wj4 s GLU 35 Ca 0.09 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1wj4 s GLU 35 Cb -0.01 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.55 1wj4 s GLU 35 CO 0.25 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 1wj4 n GLY 36 N 4.50 2.88 3.60 -1.50 0.00 -1.26 -5.10 105.19 108.30 1wj4 n GLY 36 Ca 0.08 -0.44 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 1wj4 n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wj4 n ILE 37 N -0.72 0.43 -3.64 -0.61 -5.35 -1.26 -4.85 119.36 103.37 1wj4 n ILE 37 Ca 0.00 -0.29 -0.10 0.00 -0.27 0.00 0.00 62.75 62.08 1wj4 n ILE 37 Cb 0.00 -2.19 -0.07 0.00 -1.74 0.00 0.00 39.64 35.64 1wj4 n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1wj4 s ASP 38 N 6.60 -0.86 -0.23 7.28 -1.08 -1.26 -5.12 116.67 122.00 1wj4 s ASP 38 Ca 0.99 1.49 -0.43 0.00 -0.52 0.00 0.00 52.55 54.08 1wj4 s ASP 38 Cb -0.54 1.43 -0.20 0.00 -1.46 0.00 0.00 42.92 42.15 1wj4 s ASP 38 CO 0.43 -0.24 1.35 1.33 0.52 0.00 0.00 175.17 178.55 1wj4 n VAL 39 N 3.56 0.01 -3.15 1.11 0.24 -1.26 -2.34 118.33 116.50 1wj4 n VAL 39 Ca -0.17 -0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 61.95 1wj4 n VAL 39 Cb 0.57 -0.31 0.02 0.00 -1.47 0.00 0.00 33.84 32.65 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1wj4 n ASN 40 N 2.84 -6.75 0.00 -1.34 3.02 -1.26 -5.03 115.26 106.74 1wj4 n ASN 40 Ca 0.25 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1wj4 n ASN 40 Cb 0.02 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 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 0.18 4.72 3.68 7.41 0.00 -0.99 -5.08 105.19 115.11 1wj4 n GLY 41 Ca 0.00 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 4.13 4.32 1.18 1.61 0.04 -1.26 -5.01 135.00 140.00 1wj4 s PRO 42 Ca 0.00 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 1wj4 s PRO 42 Cb 0.00 -3.61 0.29 0.00 0.04 0.00 0.00 34.50 31.22 1wj4 s PRO 42 CO 0.00 -0.52 1.02 0.21 0.04 0.00 0.00 177.00 177.75 1wj4 s LYS 43 N 2.54 -1.02 -0.16 4.56 2.20 -1.26 -4.51 119.74 122.09 1wj4 s LYS 43 Ca 0.56 0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 56.94 1wj4 s LYS 43 Cb -0.25 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 1wj4 s LYS 43 CO 0.21 -3.79 -0.01 0.00 -0.36 0.00 0.00 175.35 171.40 1wj4 s ALA 44 N -2.46 3.11 -0.47 3.13 0.00 0.68 -4.83 121.76 120.92 1wj4 s ALA 44 Ca 0.69 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 1wj4 s ALA 44 Cb -0.25 -1.63 0.08 0.00 0.00 0.00 0.00 23.12 21.32 1wj4 s ALA 44 CO 0.65 0.24 0.40 -0.65 0.00 0.00 0.00 175.76 176.39 1wj4 s GLN 45 N 0.27 2.96 -0.17 0.00 -0.21 -0.44 -0.16 119.66 121.91 1wj4 s GLN 45 Ca -0.01 -1.38 -0.05 0.00 0.02 0.00 0.00 55.36 53.93 1wj4 s GLN 45 Cb -0.14 -4.13 -0.03 0.00 1.00 0.00 0.00 33.01 29.72 1wj4 s GLN 45 CO 0.02 -1.05 -0.01 -0.51 -2.12 0.00 0.00 175.29 171.63 1wj4 s LEU 46 N 1.63 3.37 -0.60 2.90 2.01 -0.53 -1.34 118.68 126.11 1wj4 s LEU 46 Ca 0.04 -0.10 -0.14 0.00 0.01 0.00 0.00 54.13 53.93 1wj4 s LEU 46 Cb -0.25 -1.83 0.15 0.00 0.01 0.00 0.00 46.19 44.27 1wj4 s LEU 46 CO 0.06 0.15 0.54 -0.32 1.01 0.00 0.00 176.35 177.79 1wj4 s MET 47 N 0.50 3.06 0.14 1.70 1.75 -0.31 -0.92 119.30 125.23 1wj4 s MET 47 Ca -0.01 -1.91 -0.31 0.00 -1.25 0.00 0.00 55.69 52.21 1wj4 s MET 47 Cb -0.14 -4.28 -0.08 0.00 2.84 0.00 0.00 34.83 33.18 1wj4 s MET 47 CO 0.02 -1.30 1.33 -0.51 -0.65 0.00 0.00 175.02 173.91 1wj4 s LEU 48 N 1.21 4.39 -0.28 4.11 1.43 0.54 0.07 118.68 130.15 1wj4 s LEU 48 Ca 0.07 2.31 -0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1wj4 s LEU 48 Cb -0.25 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.46 1wj4 s LEU 48 CO -0.00 -0.58 0.05 -0.13 0.23 0.00 0.00 176.35 175.92 1wj4 s ARG 49 N 0.60 1.01 0.68 1.70 1.81 0.34 0.16 118.95 125.25 1wj4 s ARG 49 Ca 0.61 -1.08 -0.12 0.00 -1.72 0.00 0.00 55.73 53.41 1wj4 s ARG 49 Cb -0.36 -2.32 0.00 0.00 -0.45 0.00 0.00 34.95 31.83 1wj4 s ARG 49 CO 0.33 -0.85 1.07 0.71 -0.68 0.00 0.00 175.30 175.89 1wj4 s TYR 50 N 1.50 2.93 0.12 -0.53 2.02 0.07 0.55 117.35 124.00 1wj4 s TYR 50 Ca 0.05 1.48 -0.08 0.00 -0.37 0.00 0.00 57.07 58.15 1wj4 s TYR 50 Cb -0.18 -2.97 -0.12 0.00 -0.40 0.00 0.00 41.96 38.29 1wj4 s TYR 50 CO -0.16 -1.35 1.29 -1.00 -1.57 0.00 0.00 175.55 172.76 1wj4 h PRO 51 N -0.42 0.58 -1.88 -1.71 0.13 -1.79 -3.16 132.00 123.75 1wj4 h PRO 51 Ca -0.45 -0.56 0.55 0.00 -0.87 0.00 0.00 66.00 64.67 1wj4 h PRO 51 Cb 1.22 0.15 -0.08 0.00 0.13 0.00 0.00 31.00 32.41 1wj4 h PRO 51 CO 0.56 1.18 1.34 -0.44 -0.23 0.00 0.00 178.00 180.41 1wj4 h ASP 52 N 0.35 0.02 0.00 1.44 3.32 -1.93 -3.42 116.42 116.20 1wj4 h ASP 52 Ca -0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1wj4 h ASP 52 Cb 1.53 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1wj4 h ASP 52 CO 0.17 -0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 1wj4 n GLY 53 N -1.88 1.55 3.93 2.75 0.00 -1.19 -5.12 105.19 105.23 1wj4 n GLY 53 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 1wj4 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj4 s LYS 54 N 0.00 3.36 0.26 1.61 1.02 -1.26 -4.93 119.74 119.80 1wj4 s LYS 54 Ca 0.00 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 55.88 1wj4 s LYS 54 Cb 0.00 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 1wj4 s LYS 54 CO 0.00 -0.17 0.11 -0.98 -0.92 0.00 0.00 175.35 173.39 1wj4 s ARG 55 N -4.60 1.41 -0.27 1.68 1.70 -1.26 -0.75 118.95 116.85 1wj4 s ARG 55 Ca 0.46 -1.77 -0.17 0.00 -0.47 0.00 0.00 55.73 53.78 1wj4 s ARG 55 Cb -0.10 -0.17 0.08 0.00 -0.57 0.00 0.00 34.95 34.19 1wj4 s ARG 55 CO 0.41 -0.33 0.67 -2.00 -1.08 0.00 0.00 175.30 172.97 1wj4 s GLU 56 N -4.02 0.71 -0.16 3.89 2.12 0.41 -4.91 118.70 116.73 1wj4 s GLU 56 Ca 0.38 1.16 -0.06 0.00 0.36 0.00 0.00 54.97 56.81 1wj4 s GLU 56 Cb 0.07 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 1wj4 s GLU 56 CO 0.14 -0.14 0.04 -1.14 -0.54 0.00 0.00 175.26 173.62 1wj4 s GLN 57 N 1.43 3.80 0.30 4.30 0.74 -1.26 0.20 119.66 129.16 1wj4 s GLN 57 Ca -0.08 -0.37 0.03 0.00 0.05 0.00 0.00 55.36 54.98 1wj4 s GLN 57 Cb -0.05 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 1wj4 s GLN 57 CO -0.16 0.33 0.14 0.96 -0.55 0.00 0.00 175.29 176.02 1wj4 s ILE 58 N 0.17 0.39 -0.01 -2.34 -4.36 -0.10 -4.94 121.20 110.01 1wj4 s ILE 58 Ca 0.03 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1wj4 s ILE 58 Cb -0.13 -2.53 -0.00 0.00 1.25 0.00 0.00 42.46 41.05 1wj4 s ILE 58 CO 0.01 0.00 -0.08 -0.89 0.24 0.00 0.00 174.94 174.22 1wj4 s THR 59 N -3.63 0.64 0.08 8.37 2.01 -1.26 -1.46 115.64 120.39 1wj4 s THR 59 Ca 0.36 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.99 1wj4 s THR 59 Cb 0.06 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 1wj4 s THR 59 CO 0.16 0.20 0.10 -0.76 -0.69 0.00 0.00 174.62 173.63 1wj4 s LEU 60 N 0.03 1.86 0.07 4.42 1.43 0.77 -4.93 118.68 122.33 1wj4 s LEU 60 Ca -0.00 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 1wj4 s LEU 60 Cb -0.06 0.67 -0.06 0.00 0.03 0.00 0.00 46.19 46.78 1wj4 s LEU 60 CO -0.00 -0.68 1.16 -2.16 0.23 0.00 0.00 176.35 174.90 1wj4 s PRO 61 N -3.90 4.46 0.28 1.29 0.04 -1.26 0.25 135.00 136.16 1wj4 s PRO 61 Ca 0.07 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1wj4 s PRO 61 Cb 0.06 -3.35 0.57 0.00 0.04 0.00 0.00 34.50 31.82 1wj4 s PRO 61 CO -0.10 -0.20 1.60 0.93 0.04 0.00 0.00 177.00 179.28 1wj4 h GLU 62 N 6.60 0.05 -0.34 4.56 5.08 -1.88 2.13 114.58 130.78 1wj4 h GLU 62 Ca -0.42 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1wj4 h GLU 62 Cb 1.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1wj4 h GLU 62 CO 0.79 0.03 0.24 -0.56 -1.00 0.00 0.00 179.01 178.51 1wj4 h GLN 63 N 0.05 0.08 -6.10 2.33 3.07 -1.93 1.47 115.11 114.08 1wj4 h GLN 63 Ca 0.50 -0.00 -0.75 0.00 0.09 0.00 0.00 58.65 58.49 1wj4 h GLN 63 Cb 0.93 -0.02 0.05 0.00 0.08 0.00 0.00 27.48 28.53 1wj4 h GLN 63 CO -0.82 0.05 0.16 0.00 0.09 0.00 0.00 178.83 178.31 1wj4 n ALA 64 N -2.58 -2.70 -1.87 0.06 0.00 0.72 -4.30 120.51 109.84 1wj4 n ALA 64 Ca 0.05 0.56 -0.41 0.00 0.00 0.00 0.00 53.44 53.64 1wj4 n ALA 64 Cb 0.36 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 0.09 4.38 0.39 0.00 1.02 -1.25 0.54 119.74 124.91 1wj4 s LYS 65 Ca 0.87 2.14 0.23 0.00 0.02 0.00 0.00 55.97 59.23 1wj4 s LYS 65 Cb -1.14 -3.13 1.33 0.00 -0.52 0.00 0.00 37.83 34.36 1wj4 s LYS 65 CO 0.54 -0.21 1.61 1.25 -0.92 0.00 0.00 175.35 177.62 1wj4 h LEU 66 N 4.39 0.33 -0.95 3.17 7.12 -1.65 2.30 115.31 130.02 1wj4 h LEU 66 Ca -0.47 0.20 0.16 0.00 0.13 0.00 0.00 57.88 57.90 1wj4 h LEU 66 Cb 1.22 0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 41.44 1wj4 h LEU 66 CO 0.72 -0.28 0.56 0.25 -0.13 0.00 0.00 178.44 179.56 1wj4 h LEU 67 N 0.10 0.74 -0.48 2.25 6.46 -1.88 0.92 115.31 123.43 1wj4 h LEU 67 Ca 0.82 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 58.76 1wj4 h LEU 67 Cb 2.27 -0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 42.06 1wj4 h LEU 67 CO -0.60 0.32 -0.19 0.00 -0.62 0.00 0.00 178.44 177.35 1wj4 h ALA 68 N 1.59 0.18 -0.42 1.25 0.00 0.36 2.80 119.26 125.02 1wj4 h ALA 68 Ca 0.52 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.50 1wj4 h ALA 68 Cb 0.71 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1wj4 h ALA 68 CO -0.35 -0.53 -0.14 1.25 0.00 0.00 0.00 179.25 179.49 1wj4 h LEU 69 N -0.08 0.77 -0.51 0.00 5.85 -1.01 -0.76 115.31 119.55 1wj4 h LEU 69 Ca 0.23 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1wj4 h LEU 69 Cb 0.44 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1wj4 h LEU 69 CO -0.54 0.92 0.04 0.58 -0.34 0.00 0.00 178.44 179.10 1wj4 h VAL 70 N 0.69 1.26 -0.46 1.05 2.07 0.17 -2.45 116.25 118.57 1wj4 h VAL 70 Ca 0.11 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1wj4 h VAL 70 Cb 0.62 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1wj4 h VAL 70 CO 0.04 0.37 0.07 0.11 0.02 0.00 0.00 177.57 178.18 1wj4 h LYS 71 N 0.76 0.71 0.11 1.57 1.57 0.51 -0.33 116.57 121.47 1wj4 h LYS 71 Ca 0.15 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wj4 h LYS 71 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1wj4 h LYS 71 CO 0.02 0.67 -0.18 1.25 -0.57 0.00 0.00 179.45 180.65 1wj4 h HIS 72 N 0.68 -0.50 -0.89 -1.35 2.76 -0.67 -0.06 115.15 115.12 1wj4 h HIS 72 Ca 0.15 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.43 1wj4 h HIS 72 Cb 0.31 0.20 -0.06 0.00 1.55 0.00 0.00 27.41 29.41 1wj4 h HIS 72 CO 0.02 -0.22 0.57 -0.39 -1.30 0.00 0.00 177.93 176.61 1wj4 h VAL 73 N -0.30 0.95 -0.61 5.26 -1.51 -1.45 -0.78 116.25 117.82 1wj4 h VAL 73 Ca -0.01 -0.29 0.13 0.00 -1.23 0.00 0.00 66.70 65.29 1wj4 h VAL 73 Cb 0.28 0.02 -0.10 0.00 -2.13 0.00 0.00 31.29 29.36 1wj4 h VAL 73 CO -0.06 0.16 0.01 -0.61 -1.23 0.00 0.00 177.57 175.84 1wj4 h GLN 74 N 0.86 0.12 -0.09 5.19 4.15 -0.32 0.23 115.11 125.25 1wj4 h GLN 74 Ca 0.41 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.68 1wj4 h GLN 74 Cb 0.44 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1wj4 h GLN 74 CO -0.18 0.08 -0.58 1.03 -1.93 0.00 0.00 178.83 177.25 1wj4 h SER 75 N 0.12 0.31 -0.76 -0.69 0.87 0.32 -2.84 113.55 110.89 1wj4 h SER 75 Ca 0.32 -0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1wj4 h SER 75 Cb 0.51 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1wj4 h SER 75 CO -0.52 0.82 0.50 0.11 -0.53 0.00 0.00 176.83 177.21 1wj4 h LYS 76 N 0.21 0.68 0.00 2.24 1.79 0.58 -3.44 116.57 118.62 1wj4 h LYS 76 Ca -0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1wj4 h LYS 76 Cb 1.07 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1wj4 h LYS 76 CO 0.09 0.45 0.00 0.41 -1.08 0.00 0.00 179.45 179.32 1wj4 n GLY 77 N -1.45 0.46 3.17 3.86 0.00 -0.19 -5.09 105.19 105.95 1wj4 n GLY 77 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.06 -1.78 0.08 1.61 1.51 -1.01 -5.01 117.35 112.69 1wj4 s TYR 78 Ca 0.00 0.70 -0.30 0.00 -1.01 0.00 0.00 57.07 56.45 1wj4 s TYR 78 Cb 0.00 0.30 -0.06 0.00 -0.11 0.00 0.00 41.96 42.10 1wj4 s TYR 78 CO 0.00 -1.13 1.16 -1.25 -1.11 0.00 0.00 175.55 173.22 1wj4 s PRO 79 N 2.39 4.48 0.13 -1.71 0.04 -1.26 -3.23 135.00 135.83 1wj4 s PRO 79 Ca 0.13 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1wj4 s PRO 79 Cb -0.08 -3.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1wj4 s PRO 79 CO -0.18 -0.17 1.49 -0.97 0.04 0.00 0.00 177.00 177.21 1wj4 h ASN 80 N 6.46 -1.77 -1.81 6.66 -1.24 -1.89 1.29 115.58 123.28 1wj4 h ASN 80 Ca -0.42 0.25 0.53 0.00 0.71 0.00 0.00 56.30 57.36 1wj4 h ASN 80 Cb 1.21 0.75 -0.07 0.00 0.73 0.00 0.00 38.32 40.94 1wj4 h ASN 80 CO 0.79 -0.31 1.30 -1.84 -1.29 0.00 0.00 177.43 176.08 1wj4 n GLU 81 N -5.07 -0.00 0.00 6.67 0.28 -1.26 -2.51 120.64 118.75 1wj4 n GLU 81 Ca -0.01 1.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.98 1wj4 n GLU 81 Cb 0.28 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 30.86 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 -3.78 0.00 -3.41 3.44 1.74 0.39 -4.91 116.66 110.14 1wj4 n ARG 82 Ca 0.41 0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 57.14 1wj4 n ARG 82 Cb 1.85 -0.13 -0.06 0.00 -1.02 0.00 0.00 32.46 33.10 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 -0.07 3.61 0.20 -1.55 0.40 0.18 -1.06 117.98 119.68 1wj4 s PHE 83 Ca 0.00 1.00 0.08 0.00 -0.60 0.00 0.00 56.93 57.41 1wj4 s PHE 83 Cb 0.00 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1wj4 s PHE 83 CO 0.00 0.46 0.03 -1.83 0.70 0.00 0.00 175.22 174.57 1wj4 s GLU 84 N -1.92 2.47 -0.19 0.44 -1.05 0.62 -3.50 118.70 115.57 1wj4 s GLU 84 Ca 0.36 -1.15 -0.08 0.00 -0.15 0.00 0.00 54.97 53.95 1wj4 s GLU 84 Cb -0.15 -2.36 -0.04 0.00 -0.44 0.00 0.00 34.13 31.14 1wj4 s GLU 84 CO 0.19 0.43 0.09 -0.51 0.95 0.00 0.00 175.26 176.41 1wj4 s LEU 85 N -3.20 3.95 0.43 1.83 1.43 -1.26 0.27 118.68 122.13 1wj4 s LEU 85 Ca 0.29 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1wj4 s LEU 85 Cb -0.09 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1wj4 s LEU 85 CO 0.20 0.17 0.03 -0.76 0.23 0.00 0.00 176.35 176.22 1wj4 s LEU 86 N 0.39 2.50 0.00 1.79 1.43 0.23 -1.54 118.68 123.48 1wj4 s LEU 86 Ca 0.05 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1wj4 s LEU 86 Cb -0.12 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.41 1wj4 s LEU 86 CO -0.00 -0.64 0.00 0.35 0.23 0.00 0.00 176.35 176.28 1wj4 n THR 87 N -1.00 0.00 -0.11 5.49 -2.24 -1.22 0.11 114.28 115.30 1wj4 n THR 87 Ca -0.09 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 1wj4 n THR 87 Cb 0.67 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.08 1.98 -3.65 3.42 2.85 -1.16 -4.63 115.26 114.00 1wj4 n ASN 88 Ca 0.00 0.12 -0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1wj4 n ASN 88 Cb 0.00 -0.66 -0.06 0.00 1.24 0.00 0.00 39.78 40.29 1wj4 n ASN 88 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1wj4 s PHE 89 N -2.51 -0.09 0.68 1.20 -0.71 -1.26 -4.44 117.98 110.84 1wj4 s PHE 89 Ca -0.34 0.20 -0.12 0.00 -1.04 0.00 0.00 56.93 55.64 1wj4 s PHE 89 Cb 0.10 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 1wj4 s PHE 89 CO 0.59 -0.05 1.06 -1.25 -1.34 0.00 0.00 175.22 174.23 1wj4 s PRO 90 N 0.65 3.01 -1.04 1.99 0.04 -1.26 -4.99 135.00 133.40 1wj4 s PRO 90 Ca -0.02 0.99 -0.26 0.00 0.04 0.00 0.00 61.00 61.75 1wj4 s PRO 90 Cb -0.03 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.32 1wj4 s PRO 90 CO -0.12 -1.04 2.14 0.50 0.04 0.00 0.00 177.00 178.51 1wj4 s ARG 91 N -4.90 1.50 -0.12 4.56 3.00 -1.26 -4.69 118.95 117.03 1wj4 s ARG 91 Ca 0.59 -0.36 -0.04 0.00 -1.00 0.00 0.00 55.73 54.92 1wj4 s ARG 91 Cb -0.14 -4.99 -0.04 0.00 0.00 0.00 0.00 34.95 29.79 1wj4 s ARG 91 CO 0.52 -5.01 0.03 1.03 0.00 0.00 0.00 175.30 171.87 1wj4 s ARG 92 N 8.19 3.36 -0.69 5.12 0.52 -1.26 -4.99 118.95 129.21 1wj4 s ARG 92 Ca 0.81 -0.36 -0.20 0.00 -0.52 0.00 0.00 55.73 55.46 1wj4 s ARG 92 Cb -0.06 -2.97 0.10 0.00 0.52 0.00 0.00 34.95 32.54 1wj4 s ARG 92 CO 0.15 0.57 0.90 0.15 0.02 0.00 0.00 175.30 177.09 1wj4 s LYS 93 N -0.49 3.19 -0.82 3.54 1.02 -1.26 -3.42 119.74 121.50 1wj4 s LYS 93 Ca 0.09 -1.21 -0.22 0.00 0.02 0.00 0.00 55.97 54.66 1wj4 s LYS 93 Cb -0.12 -4.37 -0.19 0.00 -0.52 0.00 0.00 37.83 32.63 1wj4 s LYS 93 CO 0.02 -1.70 2.37 1.28 -0.92 0.00 0.00 175.35 176.40 1wj4 n LEU 94 N 6.94 0.90 0.01 3.17 4.77 -0.59 -3.13 117.00 129.06 1wj4 n LEU 94 Ca -0.00 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1wj4 n LEU 94 Cb 0.45 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1wj4 n LEU 94 CO 0.59 -2.04 0.00 -0.24 -1.33 0.00 0.00 177.39 174.37 1wj4 n SER 95 N 14.27 -0.24 -0.38 -1.43 2.88 -1.26 -4.54 113.62 122.92 1wj4 n SER 95 Ca 0.53 0.24 -0.07 0.00 -1.33 0.00 0.00 58.87 58.23 1wj4 n SER 95 Cb 0.34 0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 64.20 1wj4 n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wj4 n HIS 96 N -2.24 -0.26 0.00 0.66 1.44 -1.18 -2.38 115.22 111.25 1wj4 n HIS 96 Ca 0.00 1.15 0.00 0.00 -2.01 0.00 0.00 57.72 56.86 1wj4 n HIS 96 Cb 0.00 -0.66 0.00 0.00 0.12 0.00 0.00 29.99 29.45 1wj4 n HIS 96 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1wj4 n LEU 97 N -5.22 0.00 0.00 2.39 -0.00 -1.26 -4.97 117.00 107.94 1wj4 n LEU 97 Ca 0.04 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1wj4 n LEU 97 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 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 -0.30 0.00 -1.02 1.45 8.00 -1.00 -5.00 116.55 118.68 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 0.22 0.00 -0.02 0.00 0.00 41.12 41.32 1wj4 n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wj4 n TYR 99 N -0.60 0.59 1.05 1.24 4.01 -1.26 -4.11 117.16 118.08 1wj4 n TYR 99 Ca 0.00 -0.36 0.11 0.00 -0.16 0.00 0.00 57.90 57.49 1wj4 n TYR 99 Cb 0.00 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.22 1.33 -3.05 7.72 2.03 -1.26 -3.35 116.55 121.18 1wj4 n ASP 100 Ca 0.18 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.41 1wj4 n ASP 100 Cb 0.54 0.53 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 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 -0.77 0.00 -4.38 5.18 -5.35 -1.26 -4.92 119.36 107.86 1wj4 n ILE 101 Ca 0.08 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.36 1wj4 n ILE 101 Cb 0.39 -0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 37.52 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 0.00 1.87 0.64 7.28 -4.23 -1.26 -3.75 115.64 116.18 1wj4 s THR 102 Ca 0.00 -2.24 0.24 0.00 -1.18 0.00 0.00 61.69 58.51 1wj4 s THR 102 Cb 0.00 -2.15 0.28 0.00 1.34 0.00 0.00 72.50 71.98 1wj4 s THR 102 CO 0.00 -0.52 1.69 -0.07 -0.54 0.00 0.00 174.62 175.18 1wj4 h LEU 103 N 2.47 0.00 0.02 4.79 4.07 0.75 0.12 115.31 127.53 1wj4 h LEU 103 Ca -0.39 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.57 1wj4 h LEU 103 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1wj4 h LEU 103 CO 0.62 0.00 -0.01 -0.61 -1.08 0.00 0.00 178.44 177.36 1wj4 h GLN 104 N 0.00 -0.02 -0.53 1.13 4.15 -1.82 0.10 115.11 118.12 1wj4 h GLN 104 Ca 0.12 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.65 1wj4 h GLN 104 Cb 1.30 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.89 1wj4 h GLN 104 CO -0.00 0.35 -0.17 0.93 -1.93 0.00 0.00 178.83 178.00 1wj4 h GLU 105 N -1.00 -0.04 -0.22 1.69 5.08 -1.14 1.18 114.58 120.14 1wj4 h GLU 105 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1wj4 h GLU 105 Cb 0.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wj4 h GLU 105 CO 0.00 -0.03 0.34 0.00 -1.00 0.00 0.00 179.01 178.33 1wj4 h ALA 106 N 1.42 1.76 -0.87 3.43 0.00 -1.36 -3.45 119.26 120.20 1wj4 h ALA 106 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wj4 h ALA 106 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wj4 h ALA 106 CO -0.57 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 178.64 1wj4 n GLY 107 N -1.37 0.75 0.00 0.00 0.00 0.41 -4.98 105.19 100.00 1wj4 n GLY 107 Ca 0.03 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.43 0.08 -4.84 0.99 7.99 0.31 -4.89 117.00 116.21 1wj4 n LEU 108 Ca 0.00 -0.13 -0.33 0.00 -0.01 0.00 0.00 56.01 55.54 1wj4 n LEU 108 Cb 0.30 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.55 1wj4 n LEU 108 CO 0.00 0.02 0.40 0.00 -1.51 0.00 0.00 177.39 176.30 1wj4 h PRO 110 N 2.61 0.63 -3.61 0.00 0.13 -1.94 -3.46 132.00 126.37 1wj4 h PRO 110 Ca -0.48 -0.62 -0.37 0.00 -0.87 0.00 0.00 66.00 63.66 1wj4 h PRO 110 Cb 1.18 0.16 -0.36 0.00 0.13 0.00 0.00 31.00 32.11 1wj4 h PRO 110 CO 0.65 1.23 -0.75 1.14 -0.23 0.00 0.00 178.00 180.04 1wj4 s GLN 111 N -3.43 0.27 0.08 0.86 1.03 -1.02 -1.32 119.66 116.12 1wj4 s GLN 111 Ca -0.11 0.16 0.02 0.00 0.04 0.00 0.00 55.36 55.47 1wj4 s GLN 111 Cb 0.06 -0.59 -0.03 0.00 0.03 0.00 0.00 33.01 32.48 1wj4 s GLN 111 CO 0.88 -0.22 -0.08 -2.00 -2.54 0.00 0.00 175.29 171.33 1wj4 s GLU 112 N 1.51 0.73 -0.48 9.60 2.56 -0.42 -4.94 118.70 127.27 1wj4 s GLU 112 Ca -0.03 -1.09 -0.21 0.00 0.00 0.00 0.00 54.97 53.64 1wj4 s GLU 112 Cb -0.13 -0.33 0.04 0.00 2.00 0.00 0.00 34.13 35.72 1wj4 s GLU 112 CO -0.03 0.03 0.69 0.99 -0.56 0.00 0.00 175.26 176.38 1wj4 s THR 113 N -2.53 4.77 -0.19 -1.70 2.01 -1.26 -1.16 115.64 115.57 1wj4 s THR 113 Ca 0.03 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.71 1wj4 s THR 113 Cb -0.02 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 1wj4 s THR 113 CO -0.02 -0.77 0.73 -0.69 -0.69 0.00 0.00 174.62 173.19 1wj4 s VAL 114 N 2.94 4.95 -0.16 3.82 1.01 0.11 -2.99 120.40 130.08 1wj4 s VAL 114 Ca 0.21 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 63.58 1wj4 s VAL 114 Cb -0.16 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1wj4 s VAL 114 CO 0.16 0.06 -0.09 -0.36 0.00 0.00 0.00 175.10 174.87 1wj4 s PHE 115 N 2.08 2.88 -0.43 5.22 0.40 0.30 0.13 117.98 128.56 1wj4 s PHE 115 Ca 0.33 -0.74 -0.24 0.00 -0.60 0.00 0.00 56.93 55.68 1wj4 s PHE 115 Cb -0.16 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.45 1wj4 s PHE 115 CO 0.11 -0.32 0.83 0.08 0.70 0.00 0.00 175.22 176.62 1wj4 s VAL 116 N 0.75 4.61 0.21 -0.44 1.01 0.19 0.77 120.40 127.49 1wj4 s VAL 116 Ca -0.04 0.64 0.11 0.00 0.00 0.00 0.00 61.98 62.69 1wj4 s VAL 116 Cb -0.15 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1wj4 s VAL 116 CO 0.02 -0.70 -0.22 -1.58 0.00 0.00 0.00 175.10 172.62 1wj4 s GLN 117 N 3.41 1.52 -0.17 2.72 0.74 0.14 -3.30 119.66 124.72 1wj4 s GLN 117 Ca 0.33 -1.57 -0.29 0.00 0.05 0.00 0.00 55.36 53.87 1wj4 s GLN 117 Cb -0.12 -1.72 -0.02 0.00 1.10 0.00 0.00 33.01 32.25 1wj4 s GLN 117 CO 0.23 0.35 1.34 -1.21 -0.55 0.00 0.00 175.29 175.45 1wj4 s GLU 118 N -2.94 4.17 0.09 1.67 2.02 -1.26 0.23 118.70 122.67 1wj4 s GLU 118 Ca 0.22 1.70 -0.31 0.00 0.02 0.00 0.00 54.97 56.60 1wj4 s GLU 118 Cb -0.07 -3.82 -0.09 0.00 0.10 0.00 0.00 34.13 30.25 1wj4 s GLU 118 CO 0.11 -0.80 1.77 0.45 0.02 0.00 0.00 175.26 176.80 1wj4 s SER 119 N 2.39 6.50 0.00 -0.19 0.15 -0.22 -4.71 113.70 117.62 1wj4 s SER 119 Ca 0.59 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.87 1wj4 s SER 119 Cb -0.23 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1wj4 s SER 119 CO 0.18 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1wj4 n GLY 120 N 4.16 0.38 3.58 9.45 0.00 -1.26 -4.87 105.19 116.64 1wj4 n GLY 120 Ca 0.17 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.17 3.35 0.06 1.61 0.04 -1.26 -4.91 135.00 130.72 1wj4 s PRO 121 Ca 0.00 0.67 -0.28 0.00 0.04 0.00 0.00 61.00 61.44 1wj4 s PRO 121 Cb 0.00 -4.11 -0.14 0.00 0.04 0.00 0.00 34.50 30.29 1wj4 s PRO 121 CO 0.00 -1.87 1.42 1.03 0.04 0.00 0.00 177.00 177.63 1wj4 h SER 122 N 11.31 -1.01 -3.68 6.66 0.87 -1.89 -3.48 113.55 122.32 1wj4 h SER 122 Ca -0.27 0.07 0.29 0.00 -1.23 0.00 0.00 61.79 60.65 1wj4 h SER 122 Cb 1.11 0.32 -0.15 0.00 -0.44 0.00 0.00 62.40 63.23 1wj4 h SER 122 CO 1.14 -0.54 -1.02 -0.24 -0.53 0.00 0.00 176.83 175.64 1wj4 n SER 123 N -4.75 -6.58 0.00 6.23 2.88 -1.26 -5.26 113.62 104.88 1wj4 n SER 123 Ca -0.10 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1wj4 n SER 123 Cb 0.37 -4.08 0.00 0.00 -0.75 0.00 0.00 64.21 59.75 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42