#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 -0.88 0.38 1.61 0.15 -1.26 -5.17 113.70 108.53 1wj4 s SER 2 Ca 0.00 0.61 0.08 0.00 0.70 0.00 0.00 55.95 57.34 1wj4 s SER 2 Cb 0.00 1.76 -0.05 0.00 -1.71 0.00 0.00 66.02 66.02 1wj4 s SER 2 CO 0.00 -0.16 0.11 -0.44 1.20 0.00 0.00 173.24 173.95 1wj4 s SER 3 N 2.88 4.37 0.00 5.45 0.01 -1.26 -5.15 113.70 120.01 1wj4 s SER 3 Ca 0.08 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1wj4 s SER 3 Cb -0.12 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.57 1wj4 s SER 3 CO -0.16 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1wj4 n GLY 4 N -1.12 4.50 3.58 3.44 0.00 -1.26 -5.19 105.19 109.14 1wj4 n GLY 4 Ca -0.03 -1.39 0.02 0.00 0.00 0.00 0.00 46.02 44.63 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 0.51 -0.02 -0.01 1.61 0.01 -1.26 -5.19 113.70 109.35 1wj4 s SER 5 Ca 0.00 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 1wj4 s SER 5 Cb 0.00 0.03 0.12 0.00 0.21 0.00 0.00 66.02 66.38 1wj4 s SER 5 CO 0.00 -0.06 1.29 -0.94 0.41 0.00 0.00 173.24 173.93 1wj4 s SER 6 N -2.77 -0.04 0.00 2.44 1.04 -1.26 -5.14 113.70 107.97 1wj4 s SER 6 Ca 0.14 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1wj4 s SER 6 Cb 0.05 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wj4 s SER 6 CO -0.05 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1wj4 n GLY 7 N -0.57 -0.97 3.14 7.32 0.00 -1.26 -5.18 105.19 107.67 1wj4 n GLY 7 Ca -0.06 0.79 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wj4 n THR 8 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -5.09 114.28 108.30 1wj4 n THR 8 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1wj4 n THR 8 Cb 0.00 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 1wj4 n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wj4 n ALA 9 N -4.28 0.00 -3.15 6.98 0.00 -1.26 -5.16 120.51 113.65 1wj4 n ALA 9 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1wj4 n ALA 9 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 1wj4 n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wj4 s THR 10 N -0.67 -0.28 0.09 0.00 -1.32 -1.26 -5.17 115.64 107.03 1wj4 s THR 10 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1wj4 s THR 10 Cb 0.00 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1wj4 s THR 10 CO 0.00 0.00 -0.11 0.21 -2.21 0.00 0.00 174.62 172.51 1wj4 s ASN 11 N 2.96 1.55 0.00 8.08 2.47 -1.26 -5.15 114.94 123.59 1wj4 s ASN 11 Ca 0.02 -0.76 0.00 0.00 0.42 0.00 0.00 52.86 52.54 1wj4 s ASN 11 Cb -0.09 -0.01 0.00 0.00 -1.45 0.00 0.00 41.25 39.70 1wj4 s ASN 11 CO -0.12 -0.21 0.00 1.57 -3.72 0.00 0.00 177.10 174.62 1wj4 n HIS 12 N 0.73 0.00 0.00 0.43 -0.00 -1.26 -5.19 115.22 109.93 1wj4 n HIS 12 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 1wj4 n HIS 12 Cb 0.57 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 1wj4 n HIS 12 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wj4 n GLN 13 N -0.17 0.00 0.00 1.57 6.02 -1.26 -5.18 117.38 118.36 1wj4 n GLN 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wj4 n GLN 13 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1wj4 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wj4 n GLY 14 N -0.46 2.41 0.00 1.08 0.00 -1.26 -5.16 105.19 101.80 1wj4 n GLY 14 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1wj4 n GLY 14 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wj4 n LEU 15 N 0.00 0.00 0.00 0.99 0.00 -1.26 -5.18 117.00 111.55 1wj4 n LEU 15 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 1wj4 n LEU 15 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.46 1wj4 n LEU 15 CO 0.00 0.00 0.14 -0.81 0.00 0.00 0.00 177.39 176.72 1wj4 n PRO 16 N -0.13 -0.82 -2.83 1.96 -0.04 -1.26 -5.02 135.00 126.85 1wj4 n PRO 16 Ca 0.00 -0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 62.90 1wj4 n PRO 16 Cb 0.00 -0.29 -0.01 0.00 -0.04 0.00 0.00 33.50 33.16 1wj4 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wj4 n ALA 17 N -3.26 3.72 -0.23 0.55 0.00 -1.26 -5.11 120.51 114.92 1wj4 n ALA 17 Ca -0.04 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1wj4 n ALA 17 Cb 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1wj4 n ALA 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wj4 n VAL 18 N -0.11 0.00 0.00 0.00 0.24 -1.26 -4.95 118.33 112.25 1wj4 n VAL 18 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 1wj4 n VAL 18 Cb 0.63 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1wj4 n VAL 18 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wj4 n ASP 19 N -3.77 0.00 -2.05 -1.34 8.00 -1.26 -5.12 116.55 111.02 1wj4 n ASP 19 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1wj4 n ASP 19 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1wj4 n ASP 19 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wj4 n SER 20 N 0.00 -8.18 0.00 -2.24 7.64 -1.26 -5.04 113.62 104.54 1wj4 n SER 20 Ca 0.00 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.34 1wj4 n SER 20 Cb 0.00 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 1wj4 n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wj4 n GLU 21 N 1.53 0.00 -1.84 1.43 4.71 -1.26 -4.97 120.64 120.24 1wj4 n GLU 21 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1wj4 n GLU 21 Cb 0.00 -0.41 -0.03 0.00 -1.01 0.00 0.00 31.44 30.00 1wj4 n GLU 21 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1wj4 s ILE 22 N -1.00 2.33 -0.14 -3.67 1.01 -1.26 -4.99 121.20 113.49 1wj4 s ILE 22 Ca 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.81 1wj4 s ILE 22 Cb 0.00 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.36 1wj4 s ILE 22 CO 0.00 0.02 0.33 -0.76 0.00 0.00 0.00 174.94 174.53 1wj4 s LEU 23 N 0.85 0.30 -0.06 2.97 1.43 -1.26 -5.01 118.68 117.90 1wj4 s LEU 23 Ca 0.70 0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 54.45 1wj4 s LEU 23 Cb -0.46 1.07 0.01 0.00 0.03 0.00 0.00 46.19 46.84 1wj4 s LEU 23 CO 0.34 -0.16 0.09 1.21 0.23 0.00 0.00 176.35 178.06 1wj4 n GLU 24 N 3.91 -0.46 -2.20 1.70 2.13 -1.26 -4.86 120.64 119.61 1wj4 n GLU 24 Ca -0.21 0.80 -0.34 0.00 0.66 0.00 0.00 57.16 58.06 1wj4 n GLU 24 Cb 0.55 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 31.22 1wj4 n GLU 24 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1wj4 s MET 25 N -1.13 3.33 0.41 5.31 1.75 -1.26 -5.01 119.30 122.70 1wj4 s MET 25 Ca 0.05 1.49 -0.23 0.00 -1.25 0.00 0.00 55.69 55.75 1wj4 s MET 25 Cb -0.01 -2.01 -0.09 0.00 2.84 0.00 0.00 34.83 35.56 1wj4 s MET 25 CO 0.12 -0.85 1.05 -1.25 -0.65 0.00 0.00 175.02 173.44 1wj4 s PRO 26 N -3.49 4.09 0.44 4.11 0.04 -1.26 -5.05 135.00 133.88 1wj4 s PRO 26 Ca 0.70 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 1wj4 s PRO 26 Cb -0.21 -2.46 0.11 0.00 0.04 0.00 0.00 34.50 31.97 1wj4 s PRO 26 CO 0.29 -0.20 0.48 -0.35 0.04 0.00 0.00 177.00 177.27 1wj4 n PRO 27 N -0.23 -1.18 -3.78 0.56 -0.04 -1.26 -5.09 135.00 123.98 1wj4 n PRO 27 Ca 0.06 -0.76 -0.22 0.00 -0.04 0.00 0.00 63.50 62.54 1wj4 n PRO 27 Cb 0.50 -0.60 -0.04 0.00 -0.04 0.00 0.00 33.50 33.32 1wj4 n PRO 27 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1wj4 s GLU 28 N -4.08 2.49 0.26 0.54 -1.05 -1.26 -5.15 118.70 110.46 1wj4 s GLU 28 Ca 0.29 -1.55 0.05 0.00 -0.15 0.00 0.00 54.97 53.61 1wj4 s GLU 28 Cb -0.02 -2.30 -0.06 0.00 -0.44 0.00 0.00 34.13 31.32 1wj4 s GLU 28 CO 0.21 -0.09 -0.03 0.15 0.95 0.00 0.00 175.26 176.45 1wj4 s LYS 29 N -4.03 1.46 0.44 -4.83 -0.14 -1.26 -5.17 119.74 106.21 1wj4 s LYS 29 Ca 0.44 -1.74 0.01 0.00 -1.36 0.00 0.00 55.97 53.32 1wj4 s LYS 29 Cb -0.02 -0.92 0.01 0.00 -1.68 0.00 0.00 37.83 35.22 1wj4 s LYS 29 CO 0.26 -0.02 0.06 0.00 -0.76 0.00 0.00 175.35 174.88 1wj4 n ALA 30 N -0.51 0.43 -2.37 5.17 0.00 -1.26 -5.16 120.51 116.80 1wj4 n ALA 30 Ca -0.05 -1.93 -0.19 0.00 0.00 0.00 0.00 53.44 51.26 1wj4 n ALA 30 Cb 0.64 1.01 -0.10 0.00 0.00 0.00 0.00 19.45 21.00 1wj4 n ALA 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wj4 s ASP 31 N -3.44 2.62 -0.07 0.00 1.01 -1.26 -5.14 116.67 110.40 1wj4 s ASP 31 Ca 0.04 -0.99 -0.12 0.00 0.71 0.00 0.00 52.55 52.19 1wj4 s ASP 31 Cb -0.00 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.73 1wj4 s ASP 31 CO 0.03 -0.14 0.30 -0.83 0.21 0.00 0.00 175.17 174.74 1wj4 s GLY 32 N -3.21 2.33 -0.97 0.21 0.00 -1.26 -5.03 107.32 99.38 1wj4 s GLY 32 Ca 0.21 -0.40 -0.14 0.00 0.00 0.00 0.00 44.72 44.40 1wj4 s GLY 32 CO 0.07 0.04 1.04 0.14 0.00 0.00 0.00 173.10 174.38 1wj4 s VAL 33 N -0.76 5.38 -0.15 1.40 1.01 -1.26 -4.96 120.40 121.05 1wj4 s VAL 33 Ca 0.20 -2.47 -0.01 0.00 0.00 0.00 0.00 61.98 59.70 1wj4 s VAL 33 Cb -0.14 -4.65 0.04 0.00 0.00 0.00 0.00 36.38 31.63 1wj4 s VAL 33 CO 0.09 -1.28 -0.05 0.54 0.00 0.00 0.00 175.10 174.40 1wj4 s VAL 34 N 0.73 1.02 0.39 2.92 0.11 -1.26 -5.13 120.40 119.18 1wj4 s VAL 34 Ca 0.28 -0.53 0.08 0.00 -2.93 0.00 0.00 61.98 58.88 1wj4 s VAL 34 Cb -0.08 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.53 1wj4 s VAL 34 CO -0.08 0.15 0.15 -1.61 -3.33 0.00 0.00 175.10 170.39 1wj4 s GLU 35 N 1.68 2.24 -0.47 1.54 2.02 -1.26 -5.11 118.70 119.33 1wj4 s GLU 35 Ca 0.01 -1.76 0.07 0.00 0.02 0.00 0.00 54.97 53.31 1wj4 s GLU 35 Cb -0.15 -2.02 0.19 0.00 0.10 0.00 0.00 34.13 32.25 1wj4 s GLU 35 CO -0.08 -0.03 0.70 0.20 0.02 0.00 0.00 175.26 176.07 1wj4 s GLY 36 N -3.87 -1.28 -0.14 -1.39 0.00 -1.26 -5.12 107.32 94.26 1wj4 s GLY 36 Ca 0.40 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 1wj4 s GLY 36 CO 0.22 3.68 1.30 -0.42 0.00 0.00 0.00 173.10 177.88 1wj4 s ILE 37 N 1.27 4.20 -0.48 0.90 1.01 -1.26 -4.97 121.20 121.86 1wj4 s ILE 37 Ca 0.24 1.46 -0.22 0.00 0.00 0.00 0.00 60.65 62.14 1wj4 s ILE 37 Cb -0.01 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.55 1wj4 s ILE 37 CO -0.06 -0.12 0.73 -0.62 0.00 0.00 0.00 174.94 174.88 1wj4 s ASP 38 N 2.07 6.32 0.95 3.58 2.15 -1.26 -5.04 116.67 125.44 1wj4 s ASP 38 Ca 0.57 -0.45 -0.15 0.00 0.43 0.00 0.00 52.55 52.95 1wj4 s ASP 38 Cb -0.23 -2.35 0.17 0.00 -0.30 0.00 0.00 42.92 40.21 1wj4 s ASP 38 CO 0.17 -0.94 1.22 0.68 -0.17 0.00 0.00 175.17 176.14 1wj4 s VAL 39 N 3.11 1.94 0.48 1.11 -7.23 -1.26 -4.91 120.40 113.65 1wj4 s VAL 39 Ca 0.24 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1wj4 s VAL 39 Cb -0.15 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1wj4 s VAL 39 CO 0.18 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 171.77 1wj4 n ASN 40 N -3.81 -7.80 -0.60 4.85 5.15 -1.26 -5.02 115.26 106.78 1wj4 n ASN 40 Ca 0.12 1.04 0.08 0.00 -0.60 0.00 0.00 54.58 55.22 1wj4 n ASN 40 Cb 0.60 -4.36 -0.02 0.00 -0.53 0.00 0.00 39.78 35.46 1wj4 n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wj4 n GLY 41 N -4.17 -1.93 3.80 8.20 0.00 -1.26 -4.92 105.19 104.90 1wj4 n GLY 41 Ca -0.05 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.09 1.56 0.43 1.61 0.04 -1.26 -5.09 135.00 130.20 1wj4 s PRO 42 Ca 0.00 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.53 1wj4 s PRO 42 Cb 0.00 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1wj4 s PRO 42 CO 0.00 -1.94 0.02 0.15 0.04 0.00 0.00 177.00 175.27 1wj4 s LYS 43 N -5.23 1.98 -0.18 4.56 1.02 -1.26 -4.43 119.74 116.20 1wj4 s LYS 43 Ca 0.62 -2.17 -0.01 0.00 0.02 0.00 0.00 55.97 54.43 1wj4 s LYS 43 Cb -0.15 -1.41 -0.00 0.00 -0.52 0.00 0.00 37.83 35.75 1wj4 s LYS 43 CO 0.54 -0.19 -0.12 0.00 -0.92 0.00 0.00 175.35 174.65 1wj4 s ALA 44 N -2.88 2.59 -0.17 5.17 0.00 0.61 -4.84 121.76 122.24 1wj4 s ALA 44 Ca 0.26 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 1wj4 s ALA 44 Cb 0.07 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1wj4 s ALA 44 CO 0.13 -0.21 0.60 -0.65 0.00 0.00 0.00 175.76 175.64 1wj4 s GLN 45 N 1.09 4.26 -0.05 0.00 1.11 -0.95 0.20 119.66 125.33 1wj4 s GLN 45 Ca 0.00 0.61 0.06 0.00 0.01 0.00 0.00 55.36 56.03 1wj4 s GLN 45 Cb -0.14 -3.54 -0.01 0.00 -1.01 0.00 0.00 33.01 28.31 1wj4 s GLN 45 CO -0.03 -0.13 -0.22 -0.51 0.01 0.00 0.00 175.29 174.41 1wj4 s LEU 46 N 1.53 2.01 -0.61 2.90 2.01 0.86 -0.74 118.68 126.63 1wj4 s LEU 46 Ca 0.29 -0.43 -0.07 0.00 0.01 0.00 0.00 54.13 53.92 1wj4 s LEU 46 Cb -0.16 -1.18 0.16 0.00 0.01 0.00 0.00 46.19 45.02 1wj4 s LEU 46 CO 0.11 0.21 0.47 -0.32 1.01 0.00 0.00 176.35 177.84 1wj4 s MET 47 N -0.15 2.74 -0.47 1.70 -2.45 -0.86 0.12 119.30 119.93 1wj4 s MET 47 Ca -0.02 -2.24 -0.28 0.00 -1.25 0.00 0.00 55.69 51.90 1wj4 s MET 47 Cb -0.12 -3.94 -0.01 0.00 1.25 0.00 0.00 34.83 32.01 1wj4 s MET 47 CO 0.02 -1.20 1.72 -0.51 1.05 0.00 0.00 175.02 176.10 1wj4 s LEU 48 N 0.49 3.42 -0.37 4.11 2.01 0.71 -1.39 118.68 127.67 1wj4 s LEU 48 Ca 0.13 0.75 -0.13 0.00 0.01 0.00 0.00 54.13 54.90 1wj4 s LEU 48 Cb -0.20 -3.10 0.01 0.00 0.01 0.00 0.00 46.19 42.91 1wj4 s LEU 48 CO -0.04 -1.91 0.25 -0.13 1.01 0.00 0.00 176.35 175.53 1wj4 s ARG 49 N 6.04 3.15 0.57 1.70 0.52 0.16 0.69 118.95 131.78 1wj4 s ARG 49 Ca 0.69 -0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 54.87 1wj4 s ARG 49 Cb -0.16 -3.84 -0.05 0.00 0.52 0.00 0.00 34.95 31.42 1wj4 s ARG 49 CO 0.28 -0.61 1.03 0.71 0.02 0.00 0.00 175.30 176.73 1wj4 s TYR 50 N 1.66 3.23 -1.20 -0.53 2.02 -0.44 0.16 117.35 122.25 1wj4 s TYR 50 Ca 0.05 1.47 -0.20 0.00 -0.37 0.00 0.00 57.07 58.02 1wj4 s TYR 50 Cb -0.18 -2.89 -0.02 0.00 -0.40 0.00 0.00 41.96 38.46 1wj4 s TYR 50 CO 0.09 -0.79 1.91 -0.35 -1.57 0.00 0.00 175.55 174.84 1wj4 n PRO 51 N -1.97 2.34 -0.96 -1.71 -0.04 -1.21 -3.61 135.00 127.84 1wj4 n PRO 51 Ca 0.08 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1wj4 n PRO 51 Cb 0.53 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 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 9.94 -1.55 -2.27 3.54 -0.08 -1.26 -4.88 116.55 119.98 1wj4 n ASP 52 Ca 0.48 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.43 1wj4 n ASP 52 Cb 0.44 -0.60 0.07 0.00 2.34 0.00 0.00 41.12 43.37 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wj4 n GLY 53 N -2.20 5.97 7.00 0.27 0.00 -1.24 -5.04 105.19 109.95 1wj4 n GLY 53 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 46.02 43.65 1wj4 n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wj4 n LYS 54 N -0.88 0.00 -3.85 1.61 5.02 -1.26 -4.67 118.16 114.12 1wj4 n LYS 54 Ca 0.60 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.74 1wj4 n LYS 54 Cb 0.72 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.69 1wj4 n LYS 54 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1wj4 n ARG 55 N 0.00 0.57 -3.61 1.97 1.85 -1.26 -1.33 116.66 114.85 1wj4 n ARG 55 Ca 0.00 -2.70 0.01 0.00 -1.00 0.00 0.00 57.85 54.16 1wj4 n ARG 55 Cb 0.00 2.48 -0.06 0.00 -1.05 0.00 0.00 32.46 33.83 1wj4 n ARG 55 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1wj4 s GLU 56 N -2.87 0.12 0.03 2.89 2.12 0.22 -4.90 118.70 116.30 1wj4 s GLU 56 Ca 0.29 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.85 1wj4 s GLU 56 Cb -0.00 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1wj4 s GLU 56 CO 0.21 -0.03 0.07 -1.14 -0.54 0.00 0.00 175.26 173.83 1wj4 s GLN 57 N 1.21 2.97 0.29 4.30 0.74 -1.26 0.25 119.66 128.16 1wj4 s GLN 57 Ca -0.08 -0.57 0.03 0.00 0.05 0.00 0.00 55.36 54.80 1wj4 s GLN 57 Cb -0.02 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.26 1wj4 s GLN 57 CO -0.11 0.62 0.18 0.96 -0.55 0.00 0.00 175.29 176.38 1wj4 s ILE 58 N -1.25 0.19 -0.26 -2.34 -4.36 0.33 -4.91 121.20 108.60 1wj4 s ILE 58 Ca 0.25 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.61 1wj4 s ILE 58 Cb -0.12 -2.50 0.08 0.00 1.25 0.00 0.00 42.46 41.17 1wj4 s ILE 58 CO 0.16 0.00 0.09 -0.89 0.24 0.00 0.00 174.94 174.54 1wj4 s THR 59 N -3.68 0.39 0.29 8.37 2.01 -1.26 -0.10 115.64 121.66 1wj4 s THR 59 Ca 0.37 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.61 1wj4 s THR 59 Cb 0.05 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1wj4 s THR 59 CO 0.19 -0.52 0.26 -0.76 -0.69 0.00 0.00 174.62 173.10 1wj4 s LEU 60 N 1.89 3.77 0.75 4.42 1.02 0.13 -4.81 118.68 125.85 1wj4 s LEU 60 Ca 0.06 -0.32 -0.11 0.00 0.02 0.00 0.00 54.13 53.77 1wj4 s LEU 60 Cb -0.17 -2.35 0.04 0.00 0.02 0.00 0.00 46.19 43.73 1wj4 s LEU 60 CO -0.22 -0.19 1.08 -2.16 0.02 0.00 0.00 176.35 174.88 1wj4 s PRO 61 N -3.93 2.48 0.12 1.29 0.04 -1.26 0.22 135.00 133.96 1wj4 s PRO 61 Ca 0.37 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 1wj4 s PRO 61 Cb -0.07 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1wj4 s PRO 61 CO 0.26 -1.38 1.54 0.93 0.04 0.00 0.00 177.00 178.39 1wj4 h GLU 62 N -0.92 0.73 -1.32 4.56 5.08 -1.90 -2.88 114.58 117.92 1wj4 h GLU 62 Ca -0.45 -0.26 -0.45 0.00 -1.00 0.00 0.00 59.36 57.20 1wj4 h GLU 62 Cb 1.24 -0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.25 1wj4 h GLU 62 CO 0.58 0.85 0.58 0.00 -1.00 0.00 0.00 179.01 180.02 1wj4 n GLN 63 N -4.39 2.11 -3.92 2.33 10.64 -1.26 -2.90 117.38 119.99 1wj4 n GLN 63 Ca -0.01 -2.18 -0.35 0.00 -1.83 0.00 0.00 57.00 52.63 1wj4 n GLN 63 Cb 0.33 -1.85 -0.08 0.00 -0.86 0.00 0.00 30.24 27.78 1wj4 n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wj4 s ALA 64 N -2.53 3.63 0.13 2.61 0.00 -1.09 -4.91 121.76 119.60 1wj4 s ALA 64 Ca 0.43 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 1wj4 s ALA 64 Cb 0.34 -1.97 -0.10 0.00 0.00 0.00 0.00 23.12 21.39 1wj4 s ALA 64 CO -0.00 0.35 1.67 0.15 0.00 0.00 0.00 175.76 177.93 1wj4 s LYS 65 N -0.20 4.18 0.55 0.00 -0.14 -1.25 -0.54 119.74 122.34 1wj4 s LYS 65 Ca 0.09 2.43 0.49 0.00 -1.36 0.00 0.00 55.97 57.62 1wj4 s LYS 65 Cb -0.12 -3.39 1.69 0.00 -1.68 0.00 0.00 37.83 34.33 1wj4 s LYS 65 CO 0.01 -0.72 1.53 -0.11 -0.76 0.00 0.00 175.35 175.30 1wj4 n LEU 66 N 4.90 0.00 -0.26 3.17 7.94 -0.90 0.28 117.00 132.12 1wj4 n LEU 66 Ca 0.16 0.97 0.03 0.00 -1.11 0.00 0.00 56.01 56.06 1wj4 n LEU 66 Cb 0.39 -0.48 0.16 0.00 0.53 0.00 0.00 43.42 44.02 1wj4 n LEU 66 CO 0.63 -0.97 1.08 0.25 -1.11 0.00 0.00 177.39 177.27 1wj4 h LEU 67 N 0.00 0.50 -0.85 -1.96 5.85 -1.87 -0.64 115.31 116.34 1wj4 h LEU 67 Ca 0.92 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.88 1wj4 h LEU 67 Cb 3.71 -0.02 -0.16 0.00 0.37 0.00 0.00 40.66 44.56 1wj4 h LEU 67 CO -0.01 0.27 -0.19 0.00 -0.34 0.00 0.00 178.44 178.17 1wj4 h ALA 68 N 1.47 0.60 -0.32 1.25 0.00 0.37 2.57 119.26 125.19 1wj4 h ALA 68 Ca 0.38 0.33 -0.08 0.00 0.00 0.00 0.00 54.91 55.54 1wj4 h ALA 68 Cb 0.43 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1wj4 h ALA 68 CO -0.29 -0.41 -0.14 1.25 0.00 0.00 0.00 179.25 179.66 1wj4 h LEU 69 N 0.01 0.55 0.00 0.00 7.12 -1.26 -2.40 115.31 119.34 1wj4 h LEU 69 Ca 0.42 -0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.27 1wj4 h LEU 69 Cb 0.66 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1wj4 h LEU 69 CO -0.87 0.72 -0.00 0.58 -0.13 0.00 0.00 178.44 178.74 1wj4 h VAL 70 N 0.52 1.33 -0.96 1.05 2.07 0.31 -2.31 116.25 118.26 1wj4 h VAL 70 Ca 0.09 -0.98 0.25 0.00 0.82 0.00 0.00 66.70 66.88 1wj4 h VAL 70 Cb 0.54 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 1wj4 h VAL 70 CO 0.03 0.25 0.66 0.11 0.02 0.00 0.00 177.57 178.65 1wj4 h LYS 71 N -0.42 0.20 0.06 1.57 1.57 0.38 0.55 116.57 120.48 1wj4 h LYS 71 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wj4 h LYS 71 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1wj4 h LYS 71 CO 0.00 0.13 -0.03 1.25 -0.57 0.00 0.00 179.45 180.23 1wj4 h HIS 72 N 0.20 -0.07 -1.13 -1.35 2.76 -1.13 0.21 115.15 114.65 1wj4 h HIS 72 Ca 0.49 -0.00 0.31 0.00 -2.20 0.00 0.00 60.37 58.97 1wj4 h HIS 72 Cb 1.57 0.02 -0.09 0.00 1.55 0.00 0.00 27.41 30.47 1wj4 h HIS 72 CO -0.00 -0.04 0.75 0.28 -1.30 0.00 0.00 177.93 177.61 1wj4 h VAL 73 N -0.12 0.43 -0.18 5.26 2.07 -0.84 0.61 116.25 123.48 1wj4 h VAL 73 Ca -0.01 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1wj4 h VAL 73 Cb 0.06 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1wj4 h VAL 73 CO 0.01 0.05 -0.07 -0.61 0.02 0.00 0.00 177.57 176.97 1wj4 h GLN 74 N 0.25 0.37 0.00 1.57 4.15 0.13 -2.57 115.11 119.00 1wj4 h GLN 74 Ca 0.63 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.88 1wj4 h GLN 74 Cb 1.87 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.54 1wj4 h GLN 74 CO -0.25 0.66 -0.07 1.03 -1.93 0.00 0.00 178.83 178.27 1wj4 h SER 75 N 0.06 0.00 -0.27 -0.69 0.87 0.34 -1.57 113.55 112.30 1wj4 h SER 75 Ca 0.04 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.42 1wj4 h SER 75 Cb 0.54 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1wj4 h SER 75 CO 0.02 0.07 -0.53 0.11 -0.53 0.00 0.00 176.83 175.97 1wj4 h LYS 76 N 0.00 0.86 0.00 2.24 1.79 -0.40 -3.47 116.57 117.59 1wj4 h LYS 76 Ca -0.00 -0.53 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1wj4 h LYS 76 Cb 0.25 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1wj4 h LYS 76 CO 0.01 1.17 0.00 0.41 -1.08 0.00 0.00 179.45 179.96 1wj4 n GLY 77 N 0.32 0.23 2.93 3.86 0.00 -0.60 -5.10 105.19 106.83 1wj4 n GLY 77 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.18 -1.05 -0.11 1.61 1.51 -1.01 -5.01 117.35 113.11 1wj4 s TYR 78 Ca 0.00 0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 56.08 1wj4 s TYR 78 Cb 0.00 -0.13 -0.02 0.00 -0.11 0.00 0.00 41.96 41.70 1wj4 s TYR 78 CO 0.00 -1.00 1.24 -1.25 -1.11 0.00 0.00 175.55 173.44 1wj4 s PRO 79 N 2.49 4.29 0.17 -1.71 0.04 -1.26 -3.34 135.00 135.69 1wj4 s PRO 79 Ca 0.10 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 1wj4 s PRO 79 Cb -0.12 -3.66 0.02 0.00 0.04 0.00 0.00 34.50 30.77 1wj4 s PRO 79 CO -0.28 -0.58 1.55 -0.97 0.04 0.00 0.00 177.00 176.76 1wj4 h ASN 80 N 7.85 -1.83 -1.58 6.66 -1.24 -1.93 1.59 115.58 125.11 1wj4 h ASN 80 Ca -0.31 0.30 0.48 0.00 0.71 0.00 0.00 56.30 57.48 1wj4 h ASN 80 Cb 1.13 0.83 -0.08 0.00 0.73 0.00 0.00 38.32 40.93 1wj4 h ASN 80 CO 0.92 -0.29 1.11 -1.84 -1.29 0.00 0.00 177.43 176.05 1wj4 n GLU 81 N -5.35 -0.01 0.00 6.67 0.28 -1.26 -2.00 120.64 118.97 1wj4 n GLU 81 Ca 0.03 0.99 0.00 0.00 -0.16 0.00 0.00 57.16 58.02 1wj4 n GLU 81 Cb 0.32 -2.18 0.00 0.00 1.43 0.00 0.00 31.44 31.01 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 -3.89 0.00 -3.09 3.44 1.74 0.50 -4.96 116.66 110.41 1wj4 n ARG 82 Ca 0.38 0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 57.21 1wj4 n ARG 82 Cb 1.66 -0.54 -0.05 0.00 -1.02 0.00 0.00 32.46 32.51 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 -0.92 3.40 0.05 -1.55 0.40 0.13 -1.30 117.98 118.19 1wj4 s PHE 83 Ca 0.00 1.14 0.07 0.00 -0.60 0.00 0.00 56.93 57.55 1wj4 s PHE 83 Cb 0.00 -2.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 1wj4 s PHE 83 CO 0.00 0.06 -0.18 -1.83 0.70 0.00 0.00 175.22 173.97 1wj4 s GLU 84 N -3.20 2.02 -0.21 0.44 -1.05 0.57 -3.77 118.70 113.51 1wj4 s GLU 84 Ca 0.53 -1.01 -0.11 0.00 -0.15 0.00 0.00 54.97 54.22 1wj4 s GLU 84 Cb -0.10 -2.18 -0.05 0.00 -0.44 0.00 0.00 34.13 31.36 1wj4 s GLU 84 CO 0.21 0.53 0.19 -0.51 0.95 0.00 0.00 175.26 176.64 1wj4 s LEU 85 N -1.56 4.18 0.43 1.83 1.43 -1.26 0.92 118.68 124.65 1wj4 s LEU 85 Ca 0.15 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1wj4 s LEU 85 Cb -0.10 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1wj4 s LEU 85 CO 0.06 0.11 0.02 -0.76 0.23 0.00 0.00 176.35 176.01 1wj4 s LEU 86 N 0.68 2.54 0.00 1.79 1.43 0.36 -0.25 118.68 125.23 1wj4 s LEU 86 Ca 0.10 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1wj4 s LEU 86 Cb -0.12 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1wj4 s LEU 86 CO 0.02 -0.63 0.00 0.35 0.23 0.00 0.00 176.35 176.32 1wj4 n THR 87 N -1.02 0.00 -1.73 5.49 -2.24 -1.18 0.19 114.28 113.78 1wj4 n THR 87 Ca -0.09 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 1wj4 n THR 87 Cb 0.67 -0.76 0.03 0.00 -2.10 0.00 0.00 70.33 68.18 1wj4 n THR 87 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wj4 s ASN 88 N -0.81 5.58 0.09 3.42 3.84 -0.89 -4.43 114.94 121.75 1wj4 s ASN 88 Ca 0.00 1.65 -0.16 0.00 0.21 0.00 0.00 52.86 54.56 1wj4 s ASN 88 Cb 0.00 -2.50 -0.09 0.00 -0.55 0.00 0.00 41.25 38.10 1wj4 s ASN 88 CO 0.00 -1.30 0.33 2.22 -2.79 0.00 0.00 177.10 175.55 1wj4 n PHE 89 N -2.79 -0.16 -0.00 0.43 -1.74 -1.26 -3.32 117.46 108.62 1wj4 n PHE 89 Ca 0.08 0.53 -0.11 0.00 -0.56 0.00 0.00 57.45 57.38 1wj4 n PHE 89 Cb 0.53 -1.06 -0.09 0.00 1.52 0.00 0.00 39.48 40.39 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1wj4 h PRO 90 N 0.71 -0.10 0.00 3.97 0.13 -2.04 -3.50 132.00 131.17 1wj4 h PRO 90 Ca -0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1wj4 h PRO 90 Cb 0.77 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1wj4 h PRO 90 CO 0.31 0.46 0.00 2.89 -0.23 0.00 0.00 178.00 181.43 1wj4 n ARG 91 N -4.81 0.00 -3.34 0.86 -4.01 -1.21 -4.97 116.66 99.18 1wj4 n ARG 91 Ca -0.08 0.00 -0.06 0.00 -1.04 0.00 0.00 57.85 56.67 1wj4 n ARG 91 Cb 0.30 0.00 -0.07 0.00 -3.04 0.00 0.00 32.46 29.65 1wj4 n ARG 91 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1wj4 s ARG 92 N -1.92 0.39 -0.49 2.89 0.52 -1.26 -4.88 118.95 114.20 1wj4 s ARG 92 Ca 0.00 0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 55.62 1wj4 s ARG 92 Cb 0.00 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 1wj4 s ARG 92 CO 0.00 -0.60 2.10 0.15 0.02 0.00 0.00 175.30 176.97 1wj4 s LYS 93 N 2.62 2.55 -0.96 3.54 1.02 -1.26 -3.11 119.74 124.14 1wj4 s LYS 93 Ca 0.13 1.15 -0.21 0.00 0.02 0.00 0.00 55.97 57.07 1wj4 s LYS 93 Cb -0.15 -4.44 -0.11 0.00 -0.52 0.00 0.00 37.83 32.61 1wj4 s LYS 93 CO -0.17 -2.79 1.96 1.28 -0.92 0.00 0.00 175.35 174.71 1wj4 n LEU 94 N 13.63 4.36 0.15 3.17 4.77 0.66 -3.65 117.00 140.09 1wj4 n LEU 94 Ca 0.28 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 1wj4 n LEU 94 Cb 0.52 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1wj4 n LEU 94 CO 0.70 -0.36 0.00 -0.24 -1.33 0.00 0.00 177.39 176.16 1wj4 n SER 95 N 8.41 -1.28 -0.39 -1.43 2.88 -1.26 -4.72 113.62 115.84 1wj4 n SER 95 Ca 0.49 0.55 -0.07 0.00 -1.33 0.00 0.00 58.87 58.51 1wj4 n SER 95 Cb 0.41 1.35 -0.05 0.00 -0.75 0.00 0.00 64.21 65.18 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 -3.34 -0.27 0.00 0.66 1.44 -1.24 -2.52 115.22 109.95 1wj4 n HIS 96 Ca 0.00 1.18 0.00 0.00 -2.01 0.00 0.00 57.72 56.89 1wj4 n HIS 96 Cb 0.00 -0.67 0.00 0.00 0.12 0.00 0.00 29.99 29.44 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 -5.25 0.00 0.00 2.39 -0.00 -1.26 -4.97 117.00 107.91 1wj4 n LEU 97 Ca 0.04 0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1wj4 n LEU 97 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 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 -0.11 0.00 -0.05 1.45 9.92 -1.05 -5.03 116.55 121.69 1wj4 n ASP 98 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1wj4 n ASP 98 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1wj4 n ASP 98 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1wj4 n TYR 99 N -0.74 0.00 0.31 1.24 4.02 -1.26 -4.35 117.16 116.37 1wj4 n TYR 99 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.08 1wj4 n TYR 99 Cb 0.00 -0.55 0.91 0.00 -0.02 0.00 0.00 39.34 39.68 1wj4 n TYR 99 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1wj4 h ASP 100 N 0.00 0.00 -0.48 7.72 3.58 -1.95 -2.40 116.42 122.89 1wj4 h ASP 100 Ca -0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1wj4 h ASP 100 Cb 1.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1wj4 h ASP 100 CO 0.01 0.00 0.00 2.30 -2.88 0.00 0.00 179.24 178.67 1wj4 n ILE 101 N -3.05 0.00 -4.35 2.25 -5.35 -1.26 -4.81 119.36 102.79 1wj4 n ILE 101 Ca -0.01 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.23 1wj4 n ILE 101 Cb 0.20 -0.58 -0.12 0.00 -1.74 0.00 0.00 39.64 37.40 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 -0.37 1.97 0.57 7.28 -4.23 -1.26 -3.64 115.64 115.96 1wj4 s THR 102 Ca 0.00 -1.87 0.44 0.00 -1.18 0.00 0.00 61.69 59.08 1wj4 s THR 102 Cb 0.00 -1.87 0.64 0.00 1.34 0.00 0.00 72.50 72.61 1wj4 s THR 102 CO 0.00 -0.19 1.51 -0.07 -0.54 0.00 0.00 174.62 175.33 1wj4 h LEU 103 N 3.42 0.00 0.15 4.79 3.38 -0.68 1.21 115.31 127.58 1wj4 h LEU 103 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1wj4 h LEU 103 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1wj4 h LEU 103 CO 0.47 0.00 -0.07 -0.61 0.09 0.00 0.00 178.44 178.32 1wj4 h GLN 104 N 0.00 -0.20 -0.38 1.13 4.15 -1.86 0.25 115.11 118.20 1wj4 h GLN 104 Ca 0.81 0.01 0.08 0.00 0.77 0.00 0.00 58.65 60.32 1wj4 h GLN 104 Cb 3.50 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 31.16 1wj4 h GLN 104 CO -0.01 0.24 -0.13 0.93 -1.93 0.00 0.00 178.83 177.93 1wj4 h GLU 105 N -0.82 -0.05 -0.52 1.69 5.08 0.11 0.46 114.58 120.54 1wj4 h GLU 105 Ca -0.02 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.49 1wj4 h GLU 105 Cb 0.53 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1wj4 h GLU 105 CO 0.03 -0.03 0.40 0.00 -1.00 0.00 0.00 179.01 178.41 1wj4 h ALA 106 N 1.29 2.43 -0.94 3.43 0.00 -1.31 -3.46 119.26 120.71 1wj4 h ALA 106 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wj4 h ALA 106 Cb 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wj4 h ALA 106 CO -0.42 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 178.58 1wj4 n GLY 107 N -1.61 0.51 0.79 0.00 0.00 0.16 -5.03 105.19 100.00 1wj4 n GLY 107 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.47 0.52 -4.58 0.99 7.99 0.05 -4.98 117.00 116.51 1wj4 n LEU 108 Ca 0.00 0.07 -0.40 0.00 -0.01 0.00 0.00 56.01 55.67 1wj4 n LEU 108 Cb 0.23 -0.18 0.03 0.00 -0.11 0.00 0.00 43.42 43.39 1wj4 n LEU 108 CO 0.00 0.14 0.46 0.00 -1.51 0.00 0.00 177.39 176.49 1wj4 h PRO 110 N 0.94 -0.11 -4.80 0.00 0.13 -1.95 -3.47 132.00 122.75 1wj4 h PRO 110 Ca -0.46 0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 1wj4 h PRO 110 Cb 1.36 0.02 -0.34 0.00 0.13 0.00 0.00 31.00 32.17 1wj4 h PRO 110 CO 0.53 0.44 -0.84 -0.65 -0.23 0.00 0.00 178.00 177.25 1wj4 s GLN 111 N -3.04 2.24 0.16 0.86 1.11 -1.17 -2.24 119.66 117.59 1wj4 s GLN 111 Ca -0.14 -0.58 0.01 0.00 0.01 0.00 0.00 55.36 54.66 1wj4 s GLN 111 Cb -0.00 -1.85 -0.04 0.00 -1.01 0.00 0.00 33.01 30.10 1wj4 s GLN 111 CO 0.51 -0.00 0.03 -2.00 0.01 0.00 0.00 175.29 173.84 1wj4 s GLU 112 N 0.81 1.04 -0.40 2.91 2.56 0.08 -4.94 118.70 120.75 1wj4 s GLU 112 Ca -0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 54.97 53.28 1wj4 s GLU 112 Cb -0.16 -0.05 0.07 0.00 2.00 0.00 0.00 34.13 35.99 1wj4 s GLU 112 CO 0.01 -0.19 0.23 0.99 -0.56 0.00 0.00 175.26 175.75 1wj4 s THR 113 N -3.82 4.19 -0.26 -1.70 2.01 -1.26 -2.03 115.64 112.77 1wj4 s THR 113 Ca 0.24 -1.32 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 1wj4 s THR 113 Cb 0.07 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 1wj4 s THR 113 CO 0.03 -0.44 0.71 -0.69 -0.69 0.00 0.00 174.62 173.55 1wj4 s VAL 114 N 1.43 4.91 -0.18 3.82 1.01 -0.48 -2.09 120.40 128.82 1wj4 s VAL 114 Ca 0.02 1.28 -0.07 0.00 0.00 0.00 0.00 61.98 63.22 1wj4 s VAL 114 Cb -0.22 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1wj4 s VAL 114 CO 0.03 -0.04 0.04 -0.36 0.00 0.00 0.00 175.10 174.77 1wj4 s PHE 115 N 2.67 3.20 -0.25 5.22 0.40 0.50 0.39 117.98 130.11 1wj4 s PHE 115 Ca 0.30 -0.01 -0.22 0.00 -0.60 0.00 0.00 56.93 56.39 1wj4 s PHE 115 Cb -0.15 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 1wj4 s PHE 115 CO 0.08 0.11 0.72 0.08 0.70 0.00 0.00 175.22 176.91 1wj4 s VAL 116 N 0.39 4.91 0.17 -0.44 1.01 0.43 0.14 120.40 127.00 1wj4 s VAL 116 Ca 0.02 1.31 0.10 0.00 0.00 0.00 0.00 61.98 63.41 1wj4 s VAL 116 Cb -0.13 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1wj4 s VAL 116 CO 0.01 -0.04 -0.22 -1.58 0.00 0.00 0.00 175.10 173.27 1wj4 s GLN 117 N 2.68 1.36 -0.20 2.72 0.74 0.26 -3.30 119.66 123.92 1wj4 s GLN 117 Ca 0.30 -1.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.00 1wj4 s GLN 117 Cb -0.15 -1.59 0.00 0.00 1.10 0.00 0.00 33.01 32.37 1wj4 s GLN 117 CO 0.08 0.34 1.03 -2.00 -0.55 0.00 0.00 175.29 174.19 1wj4 s GLU 118 N -2.57 4.30 -0.36 1.67 2.12 -1.26 0.21 118.70 122.80 1wj4 s GLU 118 Ca 0.16 1.36 -0.21 0.00 0.36 0.00 0.00 54.97 56.64 1wj4 s GLU 118 Cb -0.07 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.70 1wj4 s GLU 118 CO 0.08 -0.56 0.66 0.45 -0.54 0.00 0.00 175.26 175.35 1wj4 s SER 119 N 1.18 6.44 0.00 -1.70 0.15 -0.42 -4.77 113.70 114.58 1wj4 s SER 119 Ca 0.45 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1wj4 s SER 119 Cb -0.16 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1wj4 s SER 119 CO 0.09 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1wj4 n GLY 120 N 4.68 2.99 0.17 9.45 0.00 -1.26 -4.70 105.19 116.51 1wj4 n GLY 120 Ca -0.01 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 1wj4 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj4 h PRO 121 N 0.00 -0.31 -6.21 1.61 0.13 -2.00 -3.46 132.00 121.75 1wj4 h PRO 121 Ca 0.00 0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.67 1wj4 h PRO 121 Cb 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 1wj4 h PRO 121 CO 0.00 -0.16 -0.46 -1.54 -0.23 0.00 0.00 178.00 175.61 1wj4 s SER 122 N -5.21 5.80 -0.18 1.44 1.04 -1.26 -5.09 113.70 110.23 1wj4 s SER 122 Ca -0.06 -0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.02 1wj4 s SER 122 Cb 0.00 -1.45 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 1wj4 s SER 122 CO 0.18 -0.16 0.43 -0.55 0.98 0.00 0.00 173.24 174.12 1wj4 s SER 123 N -3.96 6.50 0.00 7.02 0.15 -1.26 -5.08 113.70 117.07 1wj4 s SER 123 Ca 0.36 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1wj4 s SER 123 Cb -0.08 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1wj4 s SER 123 CO 0.27 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.25