#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 -0.09 0.00 1.61 0.01 -1.26 -5.19 113.70 108.78 1wj4 s SER 2 Ca 0.00 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1wj4 s SER 2 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wj4 s SER 2 CO 0.00 -0.16 0.00 -0.24 0.41 0.00 0.00 173.24 173.25 1wj4 n SER 3 N -0.05 0.00 -3.75 2.44 2.88 -1.26 -5.17 113.62 108.71 1wj4 n SER 3 Ca 0.02 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 1wj4 n SER 3 Cb 0.58 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 1wj4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wj4 s GLY 4 N 0.00 -0.24 -0.31 0.46 0.00 -1.26 -5.12 107.32 100.85 1wj4 s GLY 4 Ca 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.71 1wj4 s GLY 4 CO 0.00 1.01 0.87 -0.56 0.00 0.00 0.00 173.10 174.42 1wj4 s SER 5 N 0.55 -0.87 1.45 1.64 0.01 -1.26 -5.17 113.70 110.06 1wj4 s SER 5 Ca -0.03 -0.06 -0.24 0.00 1.31 0.00 0.00 55.95 56.93 1wj4 s SER 5 Cb -0.05 1.41 0.37 0.00 0.21 0.00 0.00 66.02 67.97 1wj4 s SER 5 CO -0.03 -0.14 0.92 -0.44 0.41 0.00 0.00 173.24 173.96 1wj4 s SER 6 N 2.61 -1.28 -0.02 2.44 0.01 -1.26 -5.06 113.70 111.14 1wj4 s SER 6 Ca 0.19 0.79 -0.16 0.00 1.31 0.00 0.00 55.95 58.09 1wj4 s SER 6 Cb -0.03 -1.10 0.05 0.00 0.21 0.00 0.00 66.02 65.15 1wj4 s SER 6 CO -0.20 -5.49 0.71 0.61 0.41 0.00 0.00 173.24 169.27 1wj4 n GLY 7 N 1.44 0.36 3.45 3.44 0.00 -1.26 -5.14 105.19 107.48 1wj4 n GLY 7 Ca 0.14 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wj4 s THR 8 N -2.06 4.37 0.60 2.61 -1.32 -1.26 -5.09 115.64 113.49 1wj4 s THR 8 Ca 0.17 -0.19 -0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1wj4 s THR 8 Cb -0.00 -3.07 0.12 0.00 -1.51 0.00 0.00 72.50 68.04 1wj4 s THR 8 CO -0.01 0.31 0.82 0.00 -2.21 0.00 0.00 174.62 173.53 1wj4 n ALA 9 N 4.93 0.12 -2.45 11.08 0.00 -1.26 -5.13 120.51 127.81 1wj4 n ALA 9 Ca -0.16 -1.58 -0.10 0.00 0.00 0.00 0.00 53.44 51.60 1wj4 n ALA 9 Cb 0.51 0.25 -0.11 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.48 0.50 0.21 0.00 -1.32 -1.26 -5.17 115.64 106.12 1wj4 s THR 10 Ca 0.54 -1.55 0.01 0.00 -1.21 0.00 0.00 61.69 59.48 1wj4 s THR 10 Cb -0.03 -1.18 -0.05 0.00 -1.51 0.00 0.00 72.50 69.73 1wj4 s THR 10 CO 0.36 -0.71 0.05 0.54 -2.21 0.00 0.00 174.62 172.65 1wj4 s ASN 11 N -2.42 1.09 0.11 8.08 4.22 -1.26 -5.17 114.94 119.60 1wj4 s ASN 11 Ca 0.01 -1.28 -0.17 0.00 -2.14 0.00 0.00 52.86 49.29 1wj4 s ASN 11 Cb -0.00 0.16 0.04 0.00 1.28 0.00 0.00 41.25 42.73 1wj4 s ASN 11 CO -0.04 -0.66 0.42 -1.00 -2.04 0.00 0.00 177.10 173.78 1wj4 s HIS 12 N -3.75 -0.25 0.25 1.54 3.76 -1.26 -5.18 115.29 110.40 1wj4 s HIS 12 Ca 0.31 0.00 -0.11 0.00 -0.15 0.00 0.00 55.06 55.11 1wj4 s HIS 12 Cb 0.07 0.28 -0.01 0.00 1.11 0.00 0.00 32.58 34.03 1wj4 s HIS 12 CO 0.08 -0.69 0.44 -0.65 -0.85 0.00 0.00 174.74 173.08 1wj4 s GLN 13 N -3.52 1.55 0.18 1.40 -0.21 -1.26 -5.19 119.66 112.62 1wj4 s GLN 13 Ca 0.01 -1.34 -0.00 0.00 0.02 0.00 0.00 55.36 54.04 1wj4 s GLN 13 Cb 0.01 0.45 -0.04 0.00 1.00 0.00 0.00 33.01 34.43 1wj4 s GLN 13 CO -0.10 -0.64 0.09 0.20 -2.12 0.00 0.00 175.29 172.72 1wj4 s GLY 14 N -3.05 1.30 -0.22 3.09 0.00 -1.26 -5.15 107.32 102.03 1wj4 s GLY 14 Ca 0.25 -1.63 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 1wj4 s GLY 14 CO 0.10 -1.42 0.26 1.08 0.00 0.00 0.00 173.10 173.12 1wj4 s LEU 15 N -3.14 -0.23 0.00 0.66 1.02 -1.26 -5.15 118.68 110.57 1wj4 s LEU 15 Ca 0.32 -0.15 -0.01 0.00 0.02 0.00 0.00 54.13 54.31 1wj4 s LEU 15 Cb 0.07 0.55 0.01 0.00 0.02 0.00 0.00 46.19 46.85 1wj4 s LEU 15 CO 0.08 -0.32 0.06 -0.81 0.02 0.00 0.00 176.35 175.37 1wj4 n PRO 16 N 5.33 -0.58 -3.69 1.29 -0.04 -1.26 -5.11 135.00 130.93 1wj4 n PRO 16 Ca -0.05 -0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.18 1wj4 n PRO 16 Cb 0.49 -0.07 -0.08 0.00 -0.04 0.00 0.00 33.50 33.81 1wj4 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wj4 s ALA 17 N -3.50 -1.03 0.55 0.55 0.00 -1.26 -5.17 121.76 111.90 1wj4 s ALA 17 Ca 0.04 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1wj4 s ALA 17 Cb -0.00 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1wj4 s ALA 17 CO 0.03 -0.32 0.77 0.14 0.00 0.00 0.00 175.76 176.38 1wj4 s VAL 18 N -1.55 2.74 -0.30 0.00 -7.23 -1.26 -5.11 120.40 107.70 1wj4 s VAL 18 Ca -0.11 -0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 1wj4 s VAL 18 Cb -0.03 -3.03 0.18 0.00 0.56 0.00 0.00 36.38 34.05 1wj4 s VAL 18 CO 0.04 -0.02 0.96 -0.62 -0.31 0.00 0.00 175.10 175.15 1wj4 s ASP 19 N -4.42 -0.65 -0.30 4.85 2.15 -1.26 -5.12 116.67 111.93 1wj4 s ASP 19 Ca 0.57 0.51 -0.14 0.00 0.43 0.00 0.00 52.55 53.92 1wj4 s ASP 19 Cb -0.10 1.58 0.19 0.00 -0.30 0.00 0.00 42.92 44.29 1wj4 s ASP 19 CO 0.38 -0.12 1.15 -0.94 -0.17 0.00 0.00 175.17 175.47 1wj4 s SER 20 N 2.81 -0.07 0.25 -0.34 1.04 -1.26 -5.07 113.70 111.06 1wj4 s SER 20 Ca 0.02 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wj4 s SER 20 Cb -0.10 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wj4 s SER 20 CO -0.14 -0.01 0.00 1.21 0.98 0.00 0.00 173.24 175.28 1wj4 n GLU 21 N 3.91 0.00 -1.46 4.02 2.13 -1.26 -5.09 120.64 122.89 1wj4 n GLU 21 Ca 0.06 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.45 1wj4 n GLU 21 Cb 0.63 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 32.22 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 -3.50 1.77 -4.56 6.31 5.41 -1.26 -4.98 119.36 118.55 1wj4 n ILE 22 Ca 0.00 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 62.99 1wj4 n ILE 22 Cb 0.00 -0.53 -0.11 0.00 -0.71 0.00 0.00 39.64 38.29 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 1.80 2.76 -1.30 1.39 1.43 -1.26 -5.04 118.68 118.46 1wj4 s LEU 23 Ca 0.62 -1.26 -0.17 0.00 -1.03 0.00 0.00 54.13 52.29 1wj4 s LEU 23 Cb -0.65 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1wj4 s LEU 23 CO 0.58 -0.30 1.96 1.21 0.23 0.00 0.00 176.35 180.03 1wj4 n GLU 24 N -0.84 2.77 -1.10 1.70 2.13 -1.26 -4.86 120.64 119.18 1wj4 n GLU 24 Ca -0.05 -2.82 0.11 0.00 0.66 0.00 0.00 57.16 55.06 1wj4 n GLU 24 Cb 0.65 -3.39 -0.06 0.00 0.27 0.00 0.00 31.44 28.90 1wj4 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wj4 n MET 25 N 7.41 -2.10 -2.11 5.31 0.00 -1.26 -4.83 117.12 119.55 1wj4 n MET 25 Ca 0.50 1.71 -0.33 0.00 0.00 0.00 0.00 57.70 59.58 1wj4 n MET 25 Cb 0.43 -2.65 0.00 0.00 0.00 0.00 0.00 33.22 31.01 1wj4 n MET 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wj4 s PRO 26 N -4.48 3.42 0.95 3.17 0.04 -1.26 -5.05 135.00 131.79 1wj4 s PRO 26 Ca 0.00 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.09 1wj4 s PRO 26 Cb 0.00 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.65 1wj4 s PRO 26 CO 0.00 -0.73 1.16 -1.25 0.04 0.00 0.00 177.00 176.22 1wj4 s PRO 27 N -4.04 0.84 0.00 0.56 0.04 -1.26 -5.08 135.00 126.06 1wj4 s PRO 27 Ca 0.63 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1wj4 s PRO 27 Cb -0.15 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wj4 s PRO 27 CO 0.35 -2.38 0.00 0.39 0.04 0.00 0.00 177.00 175.40 1wj4 n GLU 28 N -3.87 0.00 -3.15 4.56 1.02 -1.26 -5.15 120.64 112.79 1wj4 n GLU 28 Ca 0.08 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.28 1wj4 n GLU 28 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.00 1wj4 n GLU 28 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wj4 s LYS 29 N 0.00 0.16 -0.14 3.49 1.02 -1.26 -5.17 119.74 117.83 1wj4 s LYS 29 Ca 0.00 0.28 -0.34 0.00 0.02 0.00 0.00 55.97 55.93 1wj4 s LYS 29 Cb 0.00 0.16 0.14 0.00 -0.52 0.00 0.00 37.83 37.60 1wj4 s LYS 29 CO 0.00 -0.18 1.26 0.00 -0.92 0.00 0.00 175.35 175.51 1wj4 s ALA 30 N 2.96 -2.15 -0.27 5.17 0.00 -1.26 -5.19 121.76 121.01 1wj4 s ALA 30 Ca -0.02 1.34 -0.38 0.00 0.00 0.00 0.00 51.96 52.89 1wj4 s ALA 30 Cb -0.10 0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.19 1wj4 s ALA 30 CO -0.10 -0.75 1.40 0.16 0.00 0.00 0.00 175.76 176.47 1wj4 s ASP 31 N -2.43 -0.00 -0.46 0.00 -4.77 -1.26 -5.10 116.67 102.64 1wj4 s ASP 31 Ca 0.11 -0.00 0.07 0.00 -3.30 0.00 0.00 52.55 49.43 1wj4 s ASP 31 Cb 0.01 0.01 0.29 0.00 -1.09 0.00 0.00 42.92 42.13 1wj4 s ASP 31 CO -0.04 -0.01 0.97 0.61 0.70 0.00 0.00 175.17 177.40 1wj4 n GLY 32 N -0.06 0.69 3.58 2.12 0.00 -1.26 -5.06 105.19 105.20 1wj4 n GLY 32 Ca 0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1wj4 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj4 s VAL 33 N 0.19 3.15 -0.19 1.61 0.11 -1.26 -4.76 120.40 119.26 1wj4 s VAL 33 Ca 0.28 -0.26 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 1wj4 s VAL 33 Cb 0.26 -4.12 0.08 0.00 -1.53 0.00 0.00 36.38 31.07 1wj4 s VAL 33 CO -0.14 -0.28 0.41 0.54 -3.33 0.00 0.00 175.10 172.30 1wj4 s VAL 34 N 15.62 -0.43 -0.30 2.04 0.11 -1.26 -5.14 120.40 131.05 1wj4 s VAL 34 Ca 0.79 0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 59.81 1wj4 s VAL 34 Cb -0.04 -0.64 0.19 0.00 -1.53 0.00 0.00 36.38 34.36 1wj4 s VAL 34 CO 0.17 0.06 1.18 -0.70 -3.33 0.00 0.00 175.10 172.48 1wj4 s GLU 35 N 2.19 0.14 0.00 1.54 2.12 -1.26 -5.09 118.70 118.34 1wj4 s GLU 35 Ca -0.04 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.58 1wj4 s GLU 35 Cb -0.11 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1wj4 s GLU 35 CO -0.13 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1wj4 n GLY 36 N 4.09 -1.51 3.18 -1.50 0.00 -1.26 -5.17 105.19 103.03 1wj4 n GLY 36 Ca -0.12 0.81 -0.26 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.00 0.00 -0.61 -5.35 -1.26 -5.04 119.36 107.10 1wj4 n ILE 37 Ca 0.00 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1wj4 n ILE 37 Cb 0.00 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 1wj4 n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1wj4 n ASP 38 N -3.28 0.00 -4.29 7.28 -0.08 -1.26 -5.15 116.55 109.77 1wj4 n ASP 38 Ca 0.07 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.94 1wj4 n ASP 38 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1wj4 n ASP 38 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1wj4 n VAL 39 N 0.00 0.46 -3.37 5.18 3.14 -1.26 -4.98 118.33 117.50 1wj4 n VAL 39 Ca 0.00 -0.50 0.03 0.00 -2.96 0.00 0.00 64.34 60.91 1wj4 n VAL 39 Cb 0.00 -0.04 -0.05 0.00 -1.06 0.00 0.00 33.84 32.69 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1wj4 s ASN 40 N -1.00 -0.17 0.31 6.55 -0.87 -1.26 -5.14 114.94 113.36 1wj4 s ASN 40 Ca 0.59 0.24 0.00 0.00 -1.57 0.00 0.00 52.86 52.12 1wj4 s ASN 40 Cb -0.57 1.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.81 1wj4 s ASN 40 CO 0.64 -0.03 0.00 0.61 -2.57 0.00 0.00 177.10 175.74 1wj4 n GLY 41 N 4.14 1.22 3.76 0.66 0.00 -1.26 -4.50 105.19 109.20 1wj4 n GLY 41 Ca -0.11 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 4.54 0.42 1.61 0.04 -1.26 -5.05 135.00 135.29 1wj4 s PRO 42 Ca 0.00 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.82 1wj4 s PRO 42 Cb 0.00 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.51 1wj4 s PRO 42 CO 0.00 0.15 0.57 0.21 0.04 0.00 0.00 177.00 177.97 1wj4 s LYS 43 N -1.68 2.85 -0.18 4.56 2.20 -1.26 -4.35 119.74 121.88 1wj4 s LYS 43 Ca 0.47 -1.18 -0.04 0.00 -0.36 0.00 0.00 55.97 54.86 1wj4 s LYS 43 Cb -0.29 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1wj4 s LYS 43 CO 0.37 -0.25 -0.02 0.00 -0.36 0.00 0.00 175.35 175.09 1wj4 s ALA 44 N -2.35 3.03 -0.05 3.13 0.00 0.60 -4.86 121.76 121.25 1wj4 s ALA 44 Ca 0.54 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 1wj4 s ALA 44 Cb -0.10 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1wj4 s ALA 44 CO 0.33 0.06 0.34 -0.65 0.00 0.00 0.00 175.76 175.84 1wj4 s GLN 45 N 0.63 3.87 0.05 0.00 -0.21 -0.86 0.45 119.66 123.59 1wj4 s GLN 45 Ca -0.01 0.26 -0.02 0.00 0.02 0.00 0.00 55.36 55.60 1wj4 s GLN 45 Cb -0.14 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 1wj4 s GLN 45 CO 0.02 0.64 0.01 -0.51 -2.12 0.00 0.00 175.29 173.33 1wj4 s LEU 46 N -0.82 2.26 -0.28 2.90 1.43 -0.04 -1.43 118.68 122.69 1wj4 s LEU 46 Ca 0.21 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1wj4 s LEU 46 Cb -0.15 0.33 0.08 0.00 0.03 0.00 0.00 46.19 46.48 1wj4 s LEU 46 CO 0.10 -0.56 0.02 -0.32 0.23 0.00 0.00 176.35 175.82 1wj4 s MET 47 N -3.43 1.29 -0.49 1.70 -2.45 -1.09 -0.48 119.30 114.36 1wj4 s MET 47 Ca 0.02 -1.21 -0.28 0.00 -1.25 0.00 0.00 55.69 52.97 1wj4 s MET 47 Cb 0.04 -2.55 0.02 0.00 1.25 0.00 0.00 34.83 33.58 1wj4 s MET 47 CO -0.08 -0.79 1.36 -0.51 1.05 0.00 0.00 175.02 176.04 1wj4 s LEU 48 N 1.35 3.52 -0.44 4.11 2.01 0.72 0.02 118.68 129.97 1wj4 s LEU 48 Ca 0.03 0.52 -0.13 0.00 0.01 0.00 0.00 54.13 54.56 1wj4 s LEU 48 Cb -0.18 -3.34 0.06 0.00 0.01 0.00 0.00 46.19 42.74 1wj4 s LEU 48 CO -0.12 -1.51 0.34 -0.13 1.01 0.00 0.00 176.35 175.93 1wj4 s ARG 49 N 5.08 2.87 0.54 1.70 1.81 -0.36 0.27 118.95 130.86 1wj4 s ARG 49 Ca 0.55 -1.32 -0.19 0.00 -1.72 0.00 0.00 55.73 53.05 1wj4 s ARG 49 Cb -0.11 -4.00 -0.06 0.00 -0.45 0.00 0.00 34.95 30.33 1wj4 s ARG 49 CO 0.29 -0.95 1.08 0.71 -0.68 0.00 0.00 175.30 175.76 1wj4 s TYR 50 N 1.58 2.82 -1.21 -0.53 2.02 -0.14 0.40 117.35 122.29 1wj4 s TYR 50 Ca 0.04 1.55 -0.20 0.00 -0.37 0.00 0.00 57.07 58.09 1wj4 s TYR 50 Cb -0.23 -3.16 -0.02 0.00 -0.40 0.00 0.00 41.96 38.15 1wj4 s TYR 50 CO 0.06 -1.26 1.89 -0.35 -1.57 0.00 0.00 175.55 174.32 1wj4 n PRO 51 N -1.38 2.36 -0.99 -1.71 -0.04 -0.91 -3.45 135.00 128.88 1wj4 n PRO 51 Ca 0.10 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 1wj4 n PRO 51 Cb 0.52 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 1wj4 n PRO 51 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wj4 n ASP 52 N 10.31 -2.24 -1.98 3.54 8.00 -1.26 -4.89 116.55 128.02 1wj4 n ASP 52 Ca 0.48 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.74 1wj4 n ASP 52 Cb 0.45 -0.37 0.10 0.00 -0.02 0.00 0.00 41.12 41.28 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wj4 n GLY 53 N -2.75 5.63 7.00 0.44 0.00 -1.22 -5.06 105.19 109.23 1wj4 n GLY 53 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.94 0.00 -4.00 1.61 5.02 -1.26 -4.66 118.16 113.93 1wj4 n LYS 54 Ca 0.51 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.69 1wj4 n LYS 54 Cb 0.96 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.93 1wj4 n LYS 54 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1wj4 s ARG 55 N 0.00 1.76 -0.21 1.97 1.70 -1.26 -0.96 118.95 121.94 1wj4 s ARG 55 Ca 0.00 -1.44 -0.28 0.00 -0.47 0.00 0.00 55.73 53.54 1wj4 s ARG 55 Cb 0.00 0.48 0.12 0.00 -0.57 0.00 0.00 34.95 34.99 1wj4 s ARG 55 CO 0.00 -0.75 1.01 -2.00 -1.08 0.00 0.00 175.30 172.49 1wj4 s GLU 56 N -3.48 0.56 0.11 3.89 2.12 0.14 -4.94 118.70 117.09 1wj4 s GLU 56 Ca 0.24 0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.97 1wj4 s GLU 56 Cb -0.01 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 1wj4 s GLU 56 CO 0.13 -0.13 0.01 -1.14 -0.54 0.00 0.00 175.26 173.59 1wj4 s GLN 57 N -0.50 2.57 0.27 4.30 0.74 -1.26 0.26 119.66 126.03 1wj4 s GLN 57 Ca 0.00 -0.87 -0.03 0.00 0.05 0.00 0.00 55.36 54.51 1wj4 s GLN 57 Cb -0.03 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.53 1wj4 s GLN 57 CO -0.02 0.53 0.33 0.96 -0.55 0.00 0.00 175.29 176.53 1wj4 s ILE 58 N -1.40 0.00 -0.24 -2.34 -4.36 0.37 -4.92 121.20 108.31 1wj4 s ILE 58 Ca 0.27 -1.75 -0.03 0.00 -0.26 0.00 0.00 60.65 58.87 1wj4 s ILE 58 Cb -0.11 -2.46 0.08 0.00 1.25 0.00 0.00 42.46 41.22 1wj4 s ILE 58 CO 0.19 0.00 0.09 -0.89 0.24 0.00 0.00 174.94 174.57 1wj4 s THR 59 N -3.73 0.22 0.27 8.37 2.01 -1.26 -0.86 115.64 120.66 1wj4 s THR 59 Ca 0.33 -0.67 0.07 0.00 0.31 0.00 0.00 61.69 61.73 1wj4 s THR 59 Cb 0.02 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1wj4 s THR 59 CO 0.16 -0.49 0.25 -0.76 -0.69 0.00 0.00 174.62 173.10 1wj4 s LEU 60 N 1.97 3.89 0.46 4.42 2.01 0.17 -4.81 118.68 126.79 1wj4 s LEU 60 Ca 0.05 -0.22 -0.21 0.00 0.01 0.00 0.00 54.13 53.76 1wj4 s LEU 60 Cb -0.16 -2.45 -0.09 0.00 0.01 0.00 0.00 46.19 43.50 1wj4 s LEU 60 CO -0.21 -0.11 1.04 -2.16 1.01 0.00 0.00 176.35 175.92 1wj4 s PRO 61 N -3.91 3.90 0.21 1.29 0.04 -1.26 0.22 135.00 135.50 1wj4 s PRO 61 Ca 0.35 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 1wj4 s PRO 61 Cb -0.08 -2.22 0.30 0.00 0.04 0.00 0.00 34.50 32.54 1wj4 s PRO 61 CO 0.26 -0.35 1.69 0.93 0.04 0.00 0.00 177.00 179.57 1wj4 h GLU 62 N 1.83 0.20 -1.98 4.56 5.08 -1.89 -0.60 114.58 121.78 1wj4 h GLU 62 Ca -0.49 -0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.37 1wj4 h GLU 62 Cb 1.22 -0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.25 1wj4 h GLU 62 CO 0.60 0.14 0.37 0.00 -1.00 0.00 0.00 179.01 179.12 1wj4 n GLN 63 N -5.18 2.37 -4.35 2.33 10.64 -1.26 -2.85 117.38 119.08 1wj4 n GLN 63 Ca 0.09 -2.29 -0.34 0.00 -1.83 0.00 0.00 57.00 52.63 1wj4 n GLN 63 Cb 0.34 -2.12 -0.13 0.00 -0.86 0.00 0.00 30.24 27.47 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 -1.66 2.93 0.21 2.61 0.00 -0.23 -4.92 121.76 120.70 1wj4 s ALA 64 Ca 0.58 -0.89 -0.32 0.00 0.00 0.00 0.00 51.96 51.33 1wj4 s ALA 64 Cb 0.38 -1.56 -0.13 0.00 0.00 0.00 0.00 23.12 21.81 1wj4 s ALA 64 CO -0.21 0.09 1.56 1.63 0.00 0.00 0.00 175.76 178.83 1wj4 n LYS 65 N 3.78 2.33 -0.08 0.00 4.76 -1.24 -0.40 118.16 127.31 1wj4 n LYS 65 Ca -0.17 0.84 0.25 0.00 -2.87 0.00 0.00 58.31 56.35 1wj4 n LYS 65 Cb 0.52 -2.59 0.56 0.00 -1.84 0.00 0.00 35.03 31.68 1wj4 n LYS 65 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1wj4 h LEU 66 N 5.45 0.00 -1.01 -0.35 5.85 -1.69 1.86 115.31 125.43 1wj4 h LEU 66 Ca -0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1wj4 h LEU 66 Cb 1.24 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1wj4 h LEU 66 CO 0.85 0.00 0.51 0.25 -0.34 0.00 0.00 178.44 179.71 1wj4 h LEU 67 N 0.00 1.06 -0.91 2.25 6.46 -1.86 -1.85 115.31 120.47 1wj4 h LEU 67 Ca 0.36 -0.07 0.25 0.00 -0.12 0.00 0.00 57.88 58.30 1wj4 h LEU 67 Cb 2.17 -0.27 -0.14 0.00 -0.73 0.00 0.00 40.66 41.68 1wj4 h LEU 67 CO -0.00 0.83 0.30 0.00 -0.62 0.00 0.00 178.44 178.95 1wj4 h ALA 68 N 1.35 1.41 -0.05 1.25 0.00 0.26 2.84 119.26 126.32 1wj4 h ALA 68 Ca 0.31 0.22 -0.15 0.00 0.00 0.00 0.00 54.91 55.29 1wj4 h ALA 68 Cb -0.02 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wj4 h ALA 68 CO -0.06 -0.49 -0.66 1.25 0.00 0.00 0.00 179.25 179.30 1wj4 h LEU 69 N 0.23 0.23 0.25 0.00 5.85 -1.46 -2.50 115.31 117.91 1wj4 h LEU 69 Ca 0.59 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1wj4 h LEU 69 Cb 1.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1wj4 h LEU 69 CO -0.65 0.82 -0.12 0.58 -0.34 0.00 0.00 178.44 178.73 1wj4 h VAL 70 N 0.14 0.53 -1.07 1.05 2.07 0.28 -2.68 116.25 116.57 1wj4 h VAL 70 Ca -0.01 -0.93 0.30 0.00 0.82 0.00 0.00 66.70 66.89 1wj4 h VAL 70 Cb 1.18 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1wj4 h VAL 70 CO 0.10 0.13 0.76 0.11 0.02 0.00 0.00 177.57 178.69 1wj4 h LYS 71 N -0.96 0.06 0.00 1.57 1.57 0.42 0.54 116.57 119.76 1wj4 h LYS 71 Ca -0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1wj4 h LYS 71 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1wj4 h LYS 71 CO 0.06 0.04 0.00 1.58 -0.57 0.00 0.00 179.45 180.56 1wj4 n HIS 72 N -4.27 0.00 -0.33 -1.35 -0.00 -0.94 -1.43 115.22 106.90 1wj4 n HIS 72 Ca 0.23 0.00 0.20 0.00 0.46 0.00 0.00 57.72 58.61 1wj4 n HIS 72 Cb 1.10 -0.44 0.45 0.00 -0.12 0.00 0.00 29.99 30.97 1wj4 n HIS 72 CO 0.00 0.00 0.00 -0.39 0.46 0.00 0.00 176.34 176.41 1wj4 h VAL 73 N 0.00 0.57 -0.80 3.57 -1.51 -1.01 0.53 116.25 117.60 1wj4 h VAL 73 Ca 0.00 -0.17 0.07 0.00 -1.23 0.00 0.00 66.70 65.37 1wj4 h VAL 73 Cb 0.00 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.13 1wj4 h VAL 73 CO 0.00 0.09 0.48 -0.61 -1.23 0.00 0.00 177.57 176.30 1wj4 h GLN 74 N 0.50 0.84 0.00 5.19 4.15 0.08 0.29 115.11 126.16 1wj4 h GLN 74 Ca 0.59 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.96 1wj4 h GLN 74 Cb 1.31 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1wj4 h GLN 74 CO -0.34 0.55 0.00 0.45 -1.93 0.00 0.00 178.83 177.57 1wj4 n SER 75 N -4.69 0.42 0.07 -0.69 2.88 0.17 -2.73 113.62 109.06 1wj4 n SER 75 Ca 0.12 0.56 -0.12 0.00 -1.33 0.00 0.00 58.87 58.09 1wj4 n SER 75 Cb 0.20 -0.66 -0.13 0.00 -0.75 0.00 0.00 64.21 62.86 1wj4 n SER 75 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1wj4 h LYS 76 N 0.00 0.14 0.00 -1.46 1.79 0.89 -3.47 116.57 114.46 1wj4 h LYS 76 Ca 0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1wj4 h LYS 76 Cb 0.53 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1wj4 h LYS 76 CO 0.00 1.07 0.00 0.41 -1.08 0.00 0.00 179.45 179.85 1wj4 n GLY 77 N 1.48 0.48 3.15 3.86 0.00 -0.34 -5.09 105.19 108.74 1wj4 n GLY 77 Ca -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1wj4 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wj4 s TYR 78 N 0.00 -1.62 0.19 1.61 1.51 -1.07 -5.00 117.35 112.96 1wj4 s TYR 78 Ca 0.00 0.83 -0.30 0.00 -1.01 0.00 0.00 57.07 56.60 1wj4 s TYR 78 Cb 0.00 0.28 -0.08 0.00 -0.11 0.00 0.00 41.96 42.05 1wj4 s TYR 78 CO 0.00 -0.97 1.11 -1.25 -1.11 0.00 0.00 175.55 173.33 1wj4 s PRO 79 N 2.68 4.59 0.09 -1.71 0.04 -1.26 -3.22 135.00 136.21 1wj4 s PRO 79 Ca 0.13 1.75 -0.34 0.00 0.04 0.00 0.00 61.00 62.58 1wj4 s PRO 79 Cb -0.08 -3.26 -0.15 0.00 0.04 0.00 0.00 34.50 31.05 1wj4 s PRO 79 CO -0.23 0.08 1.58 -0.97 0.04 0.00 0.00 177.00 177.50 1wj4 h ASN 80 N 4.92 -1.30 -1.69 6.66 -1.24 -1.93 1.53 115.58 122.54 1wj4 h ASN 80 Ca -0.45 0.11 0.49 0.00 0.71 0.00 0.00 56.30 57.17 1wj4 h ASN 80 Cb 1.21 0.44 -0.07 0.00 0.73 0.00 0.00 38.32 40.64 1wj4 h ASN 80 CO 0.72 -0.61 1.35 -1.84 -1.29 0.00 0.00 177.43 175.76 1wj4 n GLU 81 N -5.53 0.00 0.00 6.67 0.28 -1.26 -2.15 120.64 118.66 1wj4 n GLU 81 Ca -0.11 1.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.94 1wj4 n GLU 81 Cb 0.43 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.83 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 -3.69 0.00 -3.07 3.44 1.74 0.07 -3.88 116.66 111.27 1wj4 n ARG 82 Ca 0.38 0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 57.24 1wj4 n ARG 82 Cb 1.86 -0.46 -0.00 0.00 -1.02 0.00 0.00 32.46 32.83 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 -0.85 3.48 0.14 -1.55 0.40 0.50 -0.42 117.98 119.67 1wj4 s PHE 83 Ca 0.00 0.49 0.06 0.00 -0.60 0.00 0.00 56.93 56.88 1wj4 s PHE 83 Cb 0.00 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1wj4 s PHE 83 CO 0.00 -0.09 -0.15 -1.83 0.70 0.00 0.00 175.22 173.85 1wj4 s GLU 84 N -4.50 1.10 -0.18 0.44 -1.05 0.58 -3.68 118.70 111.41 1wj4 s GLU 84 Ca 0.44 -1.31 -0.05 0.00 -0.15 0.00 0.00 54.97 53.90 1wj4 s GLU 84 Cb -0.10 -1.00 -0.03 0.00 -0.44 0.00 0.00 34.13 32.56 1wj4 s GLU 84 CO 0.39 0.19 0.00 -0.51 0.95 0.00 0.00 175.26 176.29 1wj4 s LEU 85 N -2.59 3.40 0.45 1.83 1.02 -1.26 0.25 118.68 121.78 1wj4 s LEU 85 Ca 0.12 -0.10 0.05 0.00 0.02 0.00 0.00 54.13 54.21 1wj4 s LEU 85 Cb -0.04 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.27 1wj4 s LEU 85 CO 0.04 0.13 0.04 -0.76 0.02 0.00 0.00 176.35 175.81 1wj4 s LEU 86 N 0.61 2.69 0.00 1.79 1.43 0.28 -1.25 118.68 124.23 1wj4 s LEU 86 Ca -0.00 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.68 1wj4 s LEU 86 Cb -0.14 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.20 1wj4 s LEU 86 CO 0.02 -0.62 0.14 0.35 0.23 0.00 0.00 176.35 176.47 1wj4 n THR 87 N -1.12 0.00 -1.71 5.49 -2.24 -1.23 0.18 114.28 113.65 1wj4 n THR 87 Ca -0.09 -0.44 -0.32 0.00 -2.27 0.00 0.00 64.05 60.92 1wj4 n THR 87 Cb 0.67 -0.67 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.74 5.41 0.04 3.42 2.47 -1.06 -4.50 114.94 118.98 1wj4 s ASN 88 Ca 0.10 1.73 -0.11 0.00 0.42 0.00 0.00 52.86 55.00 1wj4 s ASN 88 Cb -0.01 -2.51 -0.06 0.00 -1.45 0.00 0.00 41.25 37.22 1wj4 s ASN 88 CO 0.07 -1.42 0.23 2.22 -3.72 0.00 0.00 177.10 174.47 1wj4 n PHE 89 N -2.76 -0.04 0.05 0.43 1.16 -1.26 -3.52 117.46 111.52 1wj4 n PHE 89 Ca 0.08 0.33 -0.08 0.00 -1.87 0.00 0.00 57.45 55.91 1wj4 n PHE 89 Cb 0.53 -0.66 -0.06 0.00 -1.61 0.00 0.00 39.48 37.68 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 1wj4 h PRO 90 N 0.55 -0.21 0.00 3.97 0.13 -2.05 -3.50 132.00 130.89 1wj4 h PRO 90 Ca -0.12 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1wj4 h PRO 90 Cb 0.47 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1wj4 h PRO 90 CO 0.20 0.14 0.00 2.89 -0.23 0.00 0.00 178.00 181.00 1wj4 n ARG 91 N -4.90 0.00 -3.39 0.86 -4.01 -1.23 -4.97 116.66 99.02 1wj4 n ARG 91 Ca -0.06 0.00 -0.03 0.00 -1.04 0.00 0.00 57.85 56.72 1wj4 n ARG 91 Cb 0.22 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.59 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 -2.00 0.45 -0.93 2.89 0.52 -1.26 -4.88 118.95 113.74 1wj4 s ARG 92 Ca 0.00 0.94 -0.25 0.00 -0.52 0.00 0.00 55.73 55.90 1wj4 s ARG 92 Cb 0.00 0.24 -0.07 0.00 0.52 0.00 0.00 34.95 35.64 1wj4 s ARG 92 CO 0.00 -0.49 2.02 0.15 0.02 0.00 0.00 175.30 177.00 1wj4 s LYS 93 N 2.72 2.37 -0.84 3.54 1.02 -1.26 -3.49 119.74 123.80 1wj4 s LYS 93 Ca 0.10 -0.30 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 1wj4 s LYS 93 Cb -0.14 -5.04 -0.14 0.00 -0.52 0.00 0.00 37.83 31.98 1wj4 s LYS 93 CO -0.17 -3.67 2.34 -0.51 -0.92 0.00 0.00 175.35 172.42 1wj4 s LEU 94 N 11.07 2.82 0.11 3.17 1.43 -0.38 -3.25 118.68 133.65 1wj4 s LEU 94 Ca 0.73 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1wj4 s LEU 94 Cb -0.07 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1wj4 s LEU 94 CO 0.03 -3.91 0.00 -0.24 0.23 0.00 0.00 176.35 172.46 1wj4 n SER 95 N 18.46 -1.02 -0.34 2.29 2.88 -1.26 -4.56 113.62 130.07 1wj4 n SER 95 Ca 0.46 0.31 -0.09 0.00 -1.33 0.00 0.00 58.87 58.22 1wj4 n SER 95 Cb 0.44 1.20 -0.06 0.00 -0.75 0.00 0.00 64.21 65.04 1wj4 n SER 95 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 1wj4 h HIS 96 N 0.00 -1.61 0.00 0.66 2.07 -1.99 -2.77 115.15 111.51 1wj4 h HIS 96 Ca 0.00 0.11 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 1wj4 h HIS 96 Cb 0.00 0.82 0.00 0.00 2.57 0.00 0.00 27.41 30.80 1wj4 h HIS 96 CO 0.00 -0.40 0.00 1.47 -3.07 0.00 0.00 177.93 175.93 1wj4 n LEU 97 N -5.34 0.00 0.00 6.12 -0.00 -1.26 -4.97 117.00 111.55 1wj4 n LEU 97 Ca 0.03 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 1wj4 n LEU 97 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1wj4 n LEU 97 CO -0.11 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.75 1wj4 n ASP 98 N -0.57 0.00 -1.35 1.45 8.00 -1.05 -4.99 116.55 118.04 1wj4 n ASP 98 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1wj4 n ASP 98 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.84 1.38 -0.01 1.24 4.01 -1.26 -4.17 117.16 117.51 1wj4 n TYR 99 Ca 0.00 -0.73 0.08 0.00 -0.16 0.00 0.00 57.90 57.09 1wj4 n TYR 99 Cb 0.00 -0.33 -0.13 0.00 -0.31 0.00 0.00 39.34 38.57 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 0.34 1.23 -3.57 7.72 2.03 -1.26 -3.77 116.55 119.27 1wj4 n ASP 100 Ca 0.24 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1wj4 n ASP 100 Cb 0.94 1.75 0.00 0.00 -0.72 0.00 0.00 41.12 43.10 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 -2.07 0.00 -4.32 5.18 -5.35 -1.26 -4.82 119.36 106.72 1wj4 n ILE 101 Ca -0.03 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.23 1wj4 n ILE 101 Cb 0.43 -0.64 -0.11 0.00 -1.74 0.00 0.00 39.64 37.58 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 1.78 0.58 7.28 -4.23 -1.26 -3.74 115.64 116.05 1wj4 s THR 102 Ca 0.00 -1.86 0.39 0.00 -1.18 0.00 0.00 61.69 59.04 1wj4 s THR 102 Cb 0.00 -1.79 0.57 0.00 1.34 0.00 0.00 72.50 72.61 1wj4 s THR 102 CO 0.00 -0.29 1.52 -0.07 -0.54 0.00 0.00 174.62 175.24 1wj4 h LEU 103 N 3.37 0.00 0.31 4.79 3.38 -0.57 0.46 115.31 127.05 1wj4 h LEU 103 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1wj4 h LEU 103 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wj4 h LEU 103 CO 0.49 0.00 -0.15 -0.61 0.09 0.00 0.00 178.44 178.26 1wj4 h GLN 104 N 0.00 -0.41 -0.71 1.13 4.15 -1.86 0.40 115.11 117.82 1wj4 h GLN 104 Ca 0.68 0.03 0.14 0.00 0.77 0.00 0.00 58.65 60.27 1wj4 h GLN 104 Cb 3.13 0.09 -0.13 0.00 0.21 0.00 0.00 27.48 30.78 1wj4 h GLN 104 CO -0.01 -0.27 -0.15 0.93 -1.93 0.00 0.00 178.83 177.40 1wj4 h GLU 105 N -1.04 0.01 -0.42 1.69 4.39 -0.50 1.57 114.58 120.28 1wj4 h GLU 105 Ca -0.04 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.78 1wj4 h GLU 105 Cb 0.32 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1wj4 h GLU 105 CO 0.07 0.01 0.33 0.00 -1.16 0.00 0.00 179.01 178.26 1wj4 h ALA 106 N 1.70 2.31 -0.39 3.43 0.00 -1.27 -3.46 119.26 121.58 1wj4 h ALA 106 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wj4 h ALA 106 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wj4 h ALA 106 CO -0.71 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 178.40 1wj4 n GLY 107 N -1.58 0.79 0.30 0.00 0.00 0.53 -5.02 105.19 100.21 1wj4 n GLY 107 Ca 0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.20 2.08 -4.70 0.99 7.99 0.13 -4.94 117.00 118.36 1wj4 n LEU 108 Ca 0.00 0.02 -0.38 0.00 -0.01 0.00 0.00 56.01 55.64 1wj4 n LEU 108 Cb 0.14 -0.34 0.05 0.00 -0.11 0.00 0.00 43.42 43.15 1wj4 n LEU 108 CO 0.00 0.49 0.84 0.00 -1.51 0.00 0.00 177.39 177.21 1wj4 h PRO 110 N 1.09 0.14 -3.55 0.00 0.13 -1.94 -3.47 132.00 124.40 1wj4 h PRO 110 Ca -0.50 -0.14 -0.18 0.00 -0.87 0.00 0.00 66.00 64.32 1wj4 h PRO 110 Cb 1.33 0.04 -0.24 0.00 0.13 0.00 0.00 31.00 32.25 1wj4 h PRO 110 CO 0.55 0.85 -0.57 1.14 -0.23 0.00 0.00 178.00 179.74 1wj4 s GLN 111 N -3.34 0.28 -0.12 0.86 -2.07 -0.46 -2.02 119.66 112.79 1wj4 s GLN 111 Ca -0.02 -0.14 -0.23 0.00 -1.82 0.00 0.00 55.36 53.14 1wj4 s GLN 111 Cb 0.11 0.12 0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1wj4 s GLN 111 CO 0.81 -0.05 0.56 -2.00 -1.32 0.00 0.00 175.29 173.28 1wj4 s GLU 112 N -0.66 0.81 -0.37 9.60 2.56 -0.52 -4.89 118.70 125.24 1wj4 s GLU 112 Ca -0.07 0.40 -0.22 0.00 0.00 0.00 0.00 54.97 55.08 1wj4 s GLU 112 Cb -0.04 0.39 0.01 0.00 2.00 0.00 0.00 34.13 36.48 1wj4 s GLU 112 CO 0.00 -0.19 0.73 0.99 -0.56 0.00 0.00 175.26 176.24 1wj4 s THR 113 N -0.57 4.78 0.41 -1.70 2.01 -1.26 -2.66 115.64 116.64 1wj4 s THR 113 Ca -0.07 0.72 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 1wj4 s THR 113 Cb -0.03 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.24 1wj4 s THR 113 CO 0.05 -0.43 0.76 -0.69 -0.69 0.00 0.00 174.62 173.62 1wj4 s VAL 114 N 2.99 4.80 -0.21 3.82 1.01 0.10 -2.57 120.40 130.35 1wj4 s VAL 114 Ca 0.29 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 1wj4 s VAL 114 Cb -0.13 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1wj4 s VAL 114 CO 0.17 -0.54 0.19 -0.36 0.00 0.00 0.00 175.10 174.56 1wj4 s PHE 115 N -2.39 -0.12 -0.39 5.22 0.08 0.47 -1.22 117.98 119.63 1wj4 s PHE 115 Ca 0.51 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.21 1wj4 s PHE 115 Cb -0.10 -0.51 0.02 0.00 -0.57 0.00 0.00 43.02 41.86 1wj4 s PHE 115 CO 0.32 -0.63 1.22 0.08 -0.10 0.00 0.00 175.22 176.11 1wj4 s VAL 116 N 2.26 4.19 0.15 -0.44 1.01 0.16 0.99 120.40 128.72 1wj4 s VAL 116 Ca 0.06 1.28 0.09 0.00 0.00 0.00 0.00 61.98 63.41 1wj4 s VAL 116 Cb -0.16 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1wj4 s VAL 116 CO -0.16 -0.74 -0.21 0.00 0.00 0.00 0.00 175.10 174.00 1wj4 s GLN 117 N 4.33 1.30 0.20 2.72 -2.07 0.68 -2.14 119.66 124.68 1wj4 s GLN 117 Ca 0.52 -1.36 -0.33 0.00 -1.82 0.00 0.00 55.36 52.37 1wj4 s GLN 117 Cb -0.12 -1.51 -0.13 0.00 -1.09 0.00 0.00 33.01 30.17 1wj4 s GLN 117 CO 0.27 0.33 1.68 0.39 -1.32 0.00 0.00 175.29 176.64 1wj4 n GLU 118 N 0.55 2.59 -4.04 9.60 1.02 -1.26 0.22 120.64 129.31 1wj4 n GLU 118 Ca -0.15 0.93 -0.22 0.00 -0.02 0.00 0.00 57.16 57.71 1wj4 n GLU 118 Cb 0.55 -2.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.19 1wj4 n GLU 118 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wj4 s SER 119 N 1.08 5.92 0.02 1.62 0.15 0.44 -4.66 113.70 118.27 1wj4 s SER 119 Ca 0.76 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1wj4 s SER 119 Cb -0.56 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1wj4 s SER 119 CO 0.34 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1wj4 n GLY 120 N -1.27 0.61 3.57 9.45 0.00 -1.26 -4.74 105.19 111.55 1wj4 n GLY 120 Ca -0.08 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 1.38 3.16 0.09 1.61 0.04 -1.26 -4.48 135.00 135.54 1wj4 s PRO 121 Ca 0.00 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1wj4 s PRO 121 Cb 0.00 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1wj4 s PRO 121 CO 0.00 -2.91 0.00 0.45 0.04 0.00 0.00 177.00 174.58 1wj4 n SER 122 N 11.35 0.76 -2.41 6.66 2.88 -1.26 -5.13 113.62 126.47 1wj4 n SER 122 Ca 0.41 0.13 -0.04 0.00 -1.33 0.00 0.00 58.87 58.04 1wj4 n SER 122 Cb 0.48 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1wj4 n SER 122 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wj4 n SER 123 N -3.27 -2.20 0.00 -3.46 2.88 -1.25 -5.11 113.62 101.21 1wj4 n SER 123 Ca 0.00 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1wj4 n SER 123 Cb 0.00 -4.78 0.00 0.00 -0.75 0.00 0.00 64.21 58.68 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42