#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 -0.20 1.61 0.01 -1.26 -5.18 113.70 108.58 1wj4 s SER 2 Ca 0.00 0.15 -0.35 0.00 1.31 0.00 0.00 55.95 57.06 1wj4 s SER 2 Cb 0.00 1.04 0.14 0.00 0.21 0.00 0.00 66.02 67.41 1wj4 s SER 2 CO 0.00 -0.02 1.23 -0.94 0.41 0.00 0.00 173.24 173.91 1wj4 s SER 3 N 1.09 -0.12 0.00 2.44 1.04 -1.26 -5.19 113.70 111.70 1wj4 s SER 3 Ca -0.08 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1wj4 s SER 3 Cb -0.02 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wj4 s SER 3 CO -0.10 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1wj4 n GLY 4 N -0.07 6.21 0.00 7.32 0.00 -1.26 -5.18 105.19 112.21 1wj4 n GLY 4 Ca 0.01 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1wj4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wj4 n SER 5 N 0.00 0.00 -3.62 1.61 7.64 -1.26 -5.19 113.62 112.80 1wj4 n SER 5 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1wj4 n SER 5 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1wj4 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wj4 s SER 6 N 0.00 -0.05 0.00 6.43 1.04 -1.26 -5.18 113.70 114.68 1wj4 s SER 6 Ca 0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1wj4 s SER 6 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wj4 s SER 6 CO 0.00 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1wj4 n GLY 7 N -0.08 4.02 3.34 7.32 0.00 -1.26 -5.18 105.19 113.36 1wj4 n GLY 7 Ca 0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wj4 s THR 8 N -1.30 0.04 -0.28 2.61 -1.32 -1.26 -5.17 115.64 108.97 1wj4 s THR 8 Ca 0.00 -0.35 -0.22 0.00 -1.21 0.00 0.00 61.69 59.91 1wj4 s THR 8 Cb 0.00 -0.86 0.12 0.00 -1.51 0.00 0.00 72.50 70.25 1wj4 s THR 8 CO 0.00 -0.19 0.95 0.00 -2.21 0.00 0.00 174.62 173.17 1wj4 s ALA 9 N -1.86 -2.03 -0.13 11.08 0.00 -1.26 -5.18 121.76 122.38 1wj4 s ALA 9 Ca -0.09 2.04 -0.31 0.00 0.00 0.00 0.00 51.96 53.60 1wj4 s ALA 9 Cb -0.02 -1.49 0.13 0.00 0.00 0.00 0.00 23.12 21.74 1wj4 s ALA 9 CO 0.02 -0.29 1.04 -0.08 0.00 0.00 0.00 175.76 176.45 1wj4 s THR 10 N 0.69 0.00 0.00 0.00 -1.32 -1.26 -5.18 115.64 108.58 1wj4 s THR 10 Ca -0.02 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.41 1wj4 s THR 10 Cb -0.05 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.94 1wj4 s THR 10 CO -0.09 0.00 0.10 0.20 -2.21 0.00 0.00 174.62 172.62 1wj4 s ASN 11 N -1.78 0.06 -0.30 8.08 0.01 -1.26 -5.14 114.94 114.60 1wj4 s ASN 11 Ca 0.04 -0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 51.76 1wj4 s ASN 11 Cb -0.01 0.19 0.19 0.00 0.41 0.00 0.00 41.25 42.03 1wj4 s ASN 11 CO -0.04 -0.33 1.32 -2.28 -1.51 0.00 0.00 177.10 174.26 1wj4 s HIS 12 N -1.29 -0.00 -0.26 2.20 2.46 -1.26 -5.18 115.29 111.96 1wj4 s HIS 12 Ca -0.14 0.00 -0.28 0.00 0.47 0.00 0.00 55.06 55.11 1wj4 s HIS 12 Cb -0.08 0.00 0.17 0.00 -0.13 0.00 0.00 32.58 32.55 1wj4 s HIS 12 CO 0.01 -0.00 1.26 -1.14 -2.47 0.00 0.00 174.74 172.40 1wj4 s GLN 13 N 2.19 0.22 -0.15 2.88 0.74 -1.26 -5.18 119.66 119.11 1wj4 s GLN 13 Ca -0.01 0.10 -0.13 0.00 0.05 0.00 0.00 55.36 55.37 1wj4 s GLN 13 Cb -0.02 0.11 0.04 0.00 1.10 0.00 0.00 33.01 34.24 1wj4 s GLN 13 CO -0.14 -0.06 0.40 0.20 -0.55 0.00 0.00 175.29 175.14 1wj4 s GLY 14 N -0.73 -0.30 0.32 2.59 0.00 -1.26 -5.17 107.32 102.78 1wj4 s GLY 14 Ca 0.06 1.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.89 1wj4 s GLY 14 CO -0.07 1.02 0.58 1.08 0.00 0.00 0.00 173.10 175.72 1wj4 s LEU 15 N 0.31 4.00 0.84 0.66 2.01 -1.26 -5.09 118.68 120.16 1wj4 s LEU 15 Ca -0.01 0.70 -0.12 0.00 0.01 0.00 0.00 54.13 54.72 1wj4 s LEU 15 Cb -0.03 -3.54 0.10 0.00 0.01 0.00 0.00 46.19 42.72 1wj4 s LEU 15 CO -0.01 -0.26 1.11 -2.16 1.01 0.00 0.00 176.35 176.05 1wj4 s PRO 16 N -3.82 1.72 0.00 1.29 0.04 -1.26 -5.00 135.00 127.98 1wj4 s PRO 16 Ca 0.44 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1wj4 s PRO 16 Cb -0.10 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1wj4 s PRO 16 CO 0.32 -1.84 0.00 0.00 0.04 0.00 0.00 177.00 175.52 1wj4 n ALA 17 N -3.56 0.00 -2.69 8.56 0.00 -1.26 -5.12 120.51 116.43 1wj4 n ALA 17 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1wj4 n ALA 17 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 1wj4 n ALA 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wj4 s VAL 18 N 0.00 4.85 -0.26 0.00 1.01 -1.26 -5.02 120.40 119.72 1wj4 s VAL 18 Ca 0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 61.98 60.98 1wj4 s VAL 18 Cb 0.00 -3.65 0.17 0.00 0.00 0.00 0.00 36.38 32.90 1wj4 s VAL 18 CO 0.00 -0.19 1.32 -0.62 0.00 0.00 0.00 175.10 175.61 1wj4 s ASP 19 N 1.62 -0.07 0.23 3.32 -1.08 -1.26 -5.14 116.67 114.29 1wj4 s ASP 19 Ca 0.04 0.04 -0.30 0.00 -0.52 0.00 0.00 52.55 51.81 1wj4 s ASP 19 Cb -0.19 0.06 -0.09 0.00 -1.46 0.00 0.00 42.92 41.24 1wj4 s ASP 19 CO 0.08 -0.09 1.37 -0.94 0.52 0.00 0.00 175.17 176.11 1wj4 s SER 20 N -1.53 6.78 -0.06 -0.34 1.04 -1.26 -4.93 113.70 113.40 1wj4 s SER 20 Ca 0.09 2.53 -0.10 0.00 0.48 0.00 0.00 55.95 58.96 1wj4 s SER 20 Cb -0.01 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1wj4 s SER 20 CO -0.05 -0.60 -0.19 1.21 0.98 0.00 0.00 173.24 174.58 1wj4 n GLU 21 N 2.43 0.29 -1.45 4.02 2.13 -1.26 -5.02 120.64 121.78 1wj4 n GLU 21 Ca 0.06 0.12 -0.40 0.00 0.66 0.00 0.00 57.16 57.59 1wj4 n GLU 21 Cb 0.42 -1.01 0.02 0.00 0.27 0.00 0.00 31.44 31.13 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 -4.00 1.79 -4.58 6.31 5.41 -1.26 -4.96 119.36 118.07 1wj4 n ILE 22 Ca -0.10 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.82 1wj4 n ILE 22 Cb 0.32 -0.56 -0.13 0.00 -0.71 0.00 0.00 39.64 38.56 1wj4 n ILE 22 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1wj4 s LEU 23 N 1.64 3.00 -0.80 1.39 2.96 -1.26 -5.05 118.68 120.56 1wj4 s LEU 23 Ca 0.64 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1wj4 s LEU 23 Cb -0.55 -1.70 0.22 0.00 0.50 0.00 0.00 46.19 44.66 1wj4 s LEU 23 CO 0.58 0.17 0.74 -0.62 -1.32 0.00 0.00 176.35 175.90 1wj4 n GLU 24 N 3.49 2.51 -3.41 1.98 1.02 -1.26 -4.98 120.64 119.98 1wj4 n GLU 24 Ca -0.18 -4.54 0.01 0.00 -0.02 0.00 0.00 57.16 52.44 1wj4 n GLU 24 Cb 0.53 -2.35 -0.04 0.00 -0.02 0.00 0.00 31.44 29.55 1wj4 n GLU 24 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wj4 s MET 25 N -1.77 0.25 0.55 3.49 -1.94 -1.26 -5.17 119.30 113.45 1wj4 s MET 25 Ca 0.30 0.59 -0.17 0.00 -1.71 0.00 0.00 55.69 54.69 1wj4 s MET 25 Cb -0.00 0.31 -0.06 0.00 2.01 0.00 0.00 34.83 37.09 1wj4 s MET 25 CO -0.10 -0.08 1.04 -1.25 -0.01 0.00 0.00 175.02 174.63 1wj4 s PRO 26 N 2.16 3.55 0.84 2.03 0.04 -1.26 -5.06 135.00 137.31 1wj4 s PRO 26 Ca -0.03 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 1wj4 s PRO 26 Cb -0.05 -2.06 0.20 0.00 0.04 0.00 0.00 34.50 32.63 1wj4 s PRO 26 CO -0.17 -0.62 0.92 -0.35 0.04 0.00 0.00 177.00 176.83 1wj4 n PRO 27 N -1.59 -1.80 -3.58 0.56 -0.04 -1.26 -5.11 135.00 122.18 1wj4 n PRO 27 Ca 0.09 -1.45 -0.09 0.00 -0.04 0.00 0.00 63.50 62.00 1wj4 n PRO 27 Cb 0.53 -1.14 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 1wj4 n PRO 27 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wj4 s GLU 28 N -5.05 1.35 0.70 0.54 2.12 -1.26 -5.15 118.70 111.94 1wj4 s GLU 28 Ca 0.56 -0.60 -0.16 0.00 0.36 0.00 0.00 54.97 55.12 1wj4 s GLU 28 Cb -0.03 0.55 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 1wj4 s GLU 28 CO 0.41 -0.60 0.85 1.63 -0.54 0.00 0.00 175.26 177.00 1wj4 n LYS 29 N -0.39 0.51 -3.64 4.30 4.01 -1.26 -5.02 118.16 116.66 1wj4 n LYS 29 Ca -0.11 0.22 -0.08 0.00 -0.51 0.00 0.00 58.31 57.83 1wj4 n LYS 29 Cb 0.63 -2.10 -0.07 0.00 -0.51 0.00 0.00 35.03 32.97 1wj4 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wj4 s ALA 30 N -1.80 -1.80 0.00 7.82 0.00 -1.26 -5.16 121.76 119.57 1wj4 s ALA 30 Ca 0.72 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.99 1wj4 s ALA 30 Cb -0.36 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1wj4 s ALA 30 CO 0.52 -0.37 0.00 -0.25 0.00 0.00 0.00 175.76 175.66 1wj4 n ASP 31 N 4.15 0.00 -3.15 0.00 8.00 -1.26 -5.14 116.55 119.15 1wj4 n ASP 31 Ca -0.20 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.34 1wj4 n ASP 31 Cb 0.58 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1wj4 n ASP 31 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1wj4 s GLY 32 N 0.00 -1.25 -1.05 0.44 0.00 -1.26 -5.06 107.32 99.14 1wj4 s GLY 32 Ca 0.00 1.09 -0.25 0.00 0.00 0.00 0.00 44.72 45.56 1wj4 s GLY 32 CO 0.00 3.72 1.99 1.55 0.00 0.00 0.00 173.10 180.36 1wj4 n VAL 33 N 5.34 0.98 -3.91 1.40 3.14 -1.26 -4.81 118.33 119.20 1wj4 n VAL 33 Ca 0.06 -1.00 -0.22 0.00 -2.96 0.00 0.00 64.34 60.22 1wj4 n VAL 33 Cb 0.54 -2.10 -0.17 0.00 -1.06 0.00 0.00 33.84 31.06 1wj4 n VAL 33 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wj4 s VAL 34 N 13.31 0.46 0.11 1.55 0.11 -1.26 -5.14 120.40 129.53 1wj4 s VAL 34 Ca 0.74 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 59.71 1wj4 s VAL 34 Cb -0.01 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1wj4 s VAL 34 CO 0.17 0.25 0.23 -1.61 -3.33 0.00 0.00 175.10 170.81 1wj4 s GLU 35 N 1.56 0.93 0.00 1.54 2.02 -1.26 -5.07 118.70 118.43 1wj4 s GLU 35 Ca -0.01 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1wj4 s GLU 35 Cb -0.13 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1wj4 s GLU 35 CO -0.04 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.34 1wj4 n GLY 36 N -0.11 -2.48 3.24 -1.39 0.00 -1.26 -5.04 105.19 98.16 1wj4 n GLY 36 Ca -0.13 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 0.12 0.00 -3.17 -0.61 -5.35 -1.26 -5.05 119.36 104.04 1wj4 n ILE 37 Ca 0.00 -0.21 0.05 0.00 -0.27 0.00 0.00 62.75 62.32 1wj4 n ILE 37 Cb 0.00 -0.79 -0.02 0.00 -1.74 0.00 0.00 39.64 37.10 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 -2.35 -0.47 0.23 7.28 -1.08 -1.26 -5.14 116.67 113.88 1wj4 s ASP 38 Ca 0.58 0.33 -0.27 0.00 -0.52 0.00 0.00 52.55 52.67 1wj4 s ASP 38 Cb -0.14 1.41 -0.16 0.00 -1.46 0.00 0.00 42.92 42.57 1wj4 s ASP 38 CO 0.56 -0.09 0.59 0.55 0.52 0.00 0.00 175.17 177.30 1wj4 n VAL 39 N 5.41 1.92 -3.39 1.11 3.14 -1.26 -4.97 118.33 120.29 1wj4 n VAL 39 Ca -0.07 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.80 1wj4 n VAL 39 Cb 0.54 -0.20 -0.04 0.00 -1.06 0.00 0.00 33.84 33.08 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1wj4 s ASN 40 N -0.92 -0.90 0.28 6.55 3.84 -1.26 -5.13 114.94 117.41 1wj4 s ASN 40 Ca 0.63 0.98 0.00 0.00 0.21 0.00 0.00 52.86 54.67 1wj4 s ASN 40 Cb -0.86 1.92 0.00 0.00 -0.55 0.00 0.00 41.25 41.76 1wj4 s ASN 40 CO 0.57 -0.25 0.00 0.61 -2.79 0.00 0.00 177.10 175.24 1wj4 n GLY 41 N 5.42 1.68 3.74 1.21 0.00 -1.26 -4.44 105.19 111.55 1wj4 n GLY 41 Ca -0.05 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 4.60 0.26 1.61 0.04 -1.26 -5.04 135.00 135.21 1wj4 s PRO 42 Ca 0.00 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1wj4 s PRO 42 Cb 0.00 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1wj4 s PRO 42 CO 0.00 0.11 0.46 0.15 0.04 0.00 0.00 177.00 177.76 1wj4 s LYS 43 N -0.70 3.53 -0.32 4.56 1.02 -1.26 -4.29 119.74 122.28 1wj4 s LYS 43 Ca 0.48 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 56.05 1wj4 s LYS 43 Cb -0.30 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1wj4 s LYS 43 CO 0.37 0.30 0.22 0.00 -0.92 0.00 0.00 175.35 175.32 1wj4 s ALA 44 N -2.04 3.51 -0.38 5.17 0.00 0.64 -4.85 121.76 123.82 1wj4 s ALA 44 Ca 0.40 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 1wj4 s ALA 44 Cb -0.10 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.43 1wj4 s ALA 44 CO 0.31 -0.82 0.75 -0.65 0.00 0.00 0.00 175.76 175.34 1wj4 s GLN 45 N 1.73 3.65 -0.18 0.00 -0.21 -1.04 -0.56 119.66 123.06 1wj4 s GLN 45 Ca 0.06 0.14 -0.03 0.00 0.02 0.00 0.00 55.36 55.55 1wj4 s GLN 45 Cb -0.17 -3.84 -0.02 0.00 1.00 0.00 0.00 33.01 29.98 1wj4 s GLN 45 CO 0.11 -0.88 -0.04 -0.51 -2.12 0.00 0.00 175.29 171.84 1wj4 s LEU 46 N 3.04 3.09 -0.77 2.90 2.01 -0.07 -1.50 118.68 127.38 1wj4 s LEU 46 Ca 0.29 -0.23 -0.18 0.00 0.01 0.00 0.00 54.13 54.02 1wj4 s LEU 46 Cb -0.13 -1.76 0.14 0.00 0.01 0.00 0.00 46.19 44.45 1wj4 s LEU 46 CO 0.18 0.10 0.86 -0.32 1.01 0.00 0.00 176.35 178.18 1wj4 s MET 47 N 0.76 3.38 0.01 1.70 -2.45 -0.49 -1.06 119.30 121.15 1wj4 s MET 47 Ca -0.02 -1.77 -0.30 0.00 -1.25 0.00 0.00 55.69 52.35 1wj4 s MET 47 Cb -0.15 -4.52 -0.06 0.00 1.25 0.00 0.00 34.83 31.36 1wj4 s MET 47 CO 0.02 -1.55 1.42 -0.51 1.05 0.00 0.00 175.02 175.45 1wj4 s LEU 48 N 2.02 4.32 -0.28 4.11 1.43 0.56 -0.45 118.68 130.38 1wj4 s LEU 48 Ca 0.20 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 1wj4 s LEU 48 Cb -0.14 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1wj4 s LEU 48 CO -0.03 -0.73 -0.02 -0.13 0.23 0.00 0.00 176.35 175.67 1wj4 s ARG 49 N 2.43 1.61 0.63 1.70 1.81 0.16 0.19 118.95 127.48 1wj4 s ARG 49 Ca 0.65 -1.36 -0.14 0.00 -1.72 0.00 0.00 55.73 53.16 1wj4 s ARG 49 Cb -0.32 -2.78 -0.02 0.00 -0.45 0.00 0.00 34.95 31.38 1wj4 s ARG 49 CO 0.27 -0.75 1.05 0.71 -0.68 0.00 0.00 175.30 175.90 1wj4 s TYR 50 N 1.20 3.09 0.19 -0.53 2.02 0.01 0.31 117.35 123.64 1wj4 s TYR 50 Ca 0.01 1.46 0.05 0.00 -0.37 0.00 0.00 57.07 58.22 1wj4 s TYR 50 Cb -0.19 -2.93 0.09 0.00 -0.40 0.00 0.00 41.96 38.53 1wj4 s TYR 50 CO -0.09 -1.10 1.45 -1.00 -1.57 0.00 0.00 175.55 173.24 1wj4 h PRO 51 N -0.04 0.13 -0.38 -1.71 0.13 -1.79 -3.05 132.00 125.29 1wj4 h PRO 51 Ca -0.45 -0.13 0.11 0.00 -0.87 0.00 0.00 66.00 64.66 1wj4 h PRO 51 Cb 1.21 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1wj4 h PRO 51 CO 0.58 0.85 0.63 0.22 -0.23 0.00 0.00 178.00 180.04 1wj4 h ASP 52 N 0.08 0.00 0.00 1.44 3.58 -1.93 -3.43 116.42 116.16 1wj4 h ASP 52 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1wj4 h ASP 52 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 1wj4 h ASP 52 CO 0.11 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.08 1wj4 n GLY 53 N -1.46 1.66 3.88 -0.78 0.00 -1.15 -5.10 105.19 102.24 1wj4 n GLY 53 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1wj4 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj4 s LYS 54 N 0.00 3.41 0.25 1.61 -0.14 -1.26 -4.89 119.74 118.72 1wj4 s LYS 54 Ca 0.00 0.52 0.01 0.00 -1.36 0.00 0.00 55.97 55.14 1wj4 s LYS 54 Cb 0.00 -2.15 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 1wj4 s LYS 54 CO 0.00 -0.58 0.13 -0.98 -0.76 0.00 0.00 175.35 173.16 1wj4 s ARG 55 N -5.10 1.39 -0.28 1.68 1.70 -1.26 -0.81 118.95 116.27 1wj4 s ARG 55 Ca 0.54 -1.76 -0.17 0.00 -0.47 0.00 0.00 55.73 53.87 1wj4 s ARG 55 Cb -0.11 -0.04 0.10 0.00 -0.57 0.00 0.00 34.95 34.33 1wj4 s ARG 55 CO 0.51 -0.37 0.77 -2.00 -1.08 0.00 0.00 175.30 173.13 1wj4 s GLU 56 N -4.02 0.64 -0.21 3.89 2.12 0.51 -4.92 118.70 116.71 1wj4 s GLU 56 Ca 0.38 1.07 -0.06 0.00 0.36 0.00 0.00 54.97 56.71 1wj4 s GLU 56 Cb 0.07 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 1wj4 s GLU 56 CO 0.14 -0.13 0.03 -1.14 -0.54 0.00 0.00 175.26 173.63 1wj4 s GLN 57 N 1.44 3.67 0.30 4.30 0.74 -1.26 0.21 119.66 129.06 1wj4 s GLN 57 Ca -0.09 -0.48 0.07 0.00 0.05 0.00 0.00 55.36 54.91 1wj4 s GLN 57 Cb -0.05 -3.17 -0.06 0.00 1.10 0.00 0.00 33.01 30.83 1wj4 s GLN 57 CO -0.17 -0.02 -0.06 0.96 -0.55 0.00 0.00 175.29 175.45 1wj4 s ILE 58 N 1.12 1.76 -0.11 -2.34 -4.36 -0.22 -4.95 121.20 112.09 1wj4 s ILE 58 Ca 0.03 -2.13 0.02 0.00 -0.26 0.00 0.00 60.65 58.31 1wj4 s ILE 58 Cb -0.14 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.05 1wj4 s ILE 58 CO 0.02 -0.26 -0.18 -0.89 0.24 0.00 0.00 174.94 173.87 1wj4 s THR 59 N -2.93 1.71 0.13 8.37 2.01 -1.26 -0.90 115.64 122.76 1wj4 s THR 59 Ca 0.31 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1wj4 s THR 59 Cb 0.04 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1wj4 s THR 59 CO 0.13 0.48 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.69 1wj4 s LEU 60 N 0.81 2.50 0.09 4.42 1.43 0.28 -4.93 118.68 123.28 1wj4 s LEU 60 Ca -0.09 -0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 51.73 1wj4 s LEU 60 Cb -0.16 -0.29 -0.06 0.00 0.03 0.00 0.00 46.19 45.71 1wj4 s LEU 60 CO 0.00 -0.34 1.15 -2.16 0.23 0.00 0.00 176.35 175.23 1wj4 s PRO 61 N -3.58 4.49 0.27 1.29 0.04 -1.26 0.23 135.00 136.48 1wj4 s PRO 61 Ca 0.14 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 1wj4 s PRO 61 Cb 0.02 -3.33 0.54 0.00 0.04 0.00 0.00 34.50 31.76 1wj4 s PRO 61 CO -0.01 -0.14 1.61 0.93 0.04 0.00 0.00 177.00 179.44 1wj4 h GLU 62 N 6.26 0.07 -0.22 4.56 5.08 -1.89 1.86 114.58 130.30 1wj4 h GLU 62 Ca -0.42 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1wj4 h GLU 62 Cb 1.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1wj4 h GLU 62 CO 0.78 0.05 0.16 -0.56 -1.00 0.00 0.00 179.01 178.43 1wj4 h GLN 63 N 0.07 0.01 -6.06 2.33 3.07 -1.92 1.06 115.11 113.67 1wj4 h GLN 63 Ca 0.48 -0.00 -0.73 0.00 0.09 0.00 0.00 58.65 58.49 1wj4 h GLN 63 Cb 0.88 -0.00 0.07 0.00 0.08 0.00 0.00 27.48 28.51 1wj4 h GLN 63 CO -0.77 0.01 -0.08 0.00 0.09 0.00 0.00 178.83 178.07 1wj4 n ALA 64 N -2.58 -2.92 -1.85 0.06 0.00 0.63 -4.31 120.51 109.54 1wj4 n ALA 64 Ca 0.02 0.53 -0.41 0.00 0.00 0.00 0.00 53.44 53.58 1wj4 n ALA 64 Cb 0.30 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.35 4.42 0.40 0.00 -0.14 -1.26 0.48 119.74 123.30 1wj4 s LYS 65 Ca 0.80 2.08 0.23 0.00 -1.36 0.00 0.00 55.97 57.72 1wj4 s LYS 65 Cb -1.10 -3.14 1.28 0.00 -1.68 0.00 0.00 37.83 33.20 1wj4 s LYS 65 CO 0.56 -0.13 1.65 1.25 -0.76 0.00 0.00 175.35 177.91 1wj4 h LEU 66 N 4.16 0.35 -1.11 3.17 7.12 -1.65 2.29 115.31 129.64 1wj4 h LEU 66 Ca -0.47 0.16 0.09 0.00 0.13 0.00 0.00 57.88 57.80 1wj4 h LEU 66 Cb 1.22 0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 41.41 1wj4 h LEU 66 CO 0.70 -0.17 0.61 0.25 -0.13 0.00 0.00 178.44 179.69 1wj4 h LEU 67 N 0.18 0.89 -0.65 2.25 6.46 -1.86 -0.51 115.31 122.06 1wj4 h LEU 67 Ca 0.77 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 58.70 1wj4 h LEU 67 Cb 2.15 -0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 41.81 1wj4 h LEU 67 CO -0.50 0.52 -0.01 0.00 -0.62 0.00 0.00 178.44 177.83 1wj4 h ALA 68 N 1.53 0.64 -0.01 1.25 0.00 0.35 2.51 119.26 125.53 1wj4 h ALA 68 Ca 0.44 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.44 1wj4 h ALA 68 Cb 0.37 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1wj4 h ALA 68 CO -0.20 -0.40 -0.54 1.25 0.00 0.00 0.00 179.25 179.36 1wj4 h LEU 69 N 0.10 0.04 0.01 0.00 5.85 -1.16 -1.61 115.31 118.55 1wj4 h LEU 69 Ca 0.34 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1wj4 h LEU 69 Cb 0.57 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1wj4 h LEU 69 CO -0.57 0.57 -0.01 0.58 -0.34 0.00 0.00 178.44 178.68 1wj4 h VAL 70 N 0.03 1.39 -0.21 1.05 2.07 0.17 -2.93 116.25 117.81 1wj4 h VAL 70 Ca -0.00 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.31 1wj4 h VAL 70 Cb 0.96 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1wj4 h VAL 70 CO 0.07 0.32 0.14 0.11 0.02 0.00 0.00 177.57 178.23 1wj4 h LYS 71 N -0.54 0.18 0.11 1.57 1.57 0.40 0.10 116.57 119.95 1wj4 h LYS 71 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1wj4 h LYS 71 Cb 0.53 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1wj4 h LYS 71 CO 0.00 0.12 -0.08 1.25 -0.57 0.00 0.00 179.45 180.17 1wj4 h HIS 72 N 0.18 -0.23 -0.94 -1.35 2.76 -1.14 -1.88 115.15 112.55 1wj4 h HIS 72 Ca 0.09 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.34 1wj4 h HIS 72 Cb 0.13 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.11 1wj4 h HIS 72 CO -0.00 -0.12 0.61 -0.39 -1.30 0.00 0.00 177.93 176.73 1wj4 h VAL 73 N -0.19 1.01 -0.87 5.26 -1.51 -1.34 -0.99 116.25 117.63 1wj4 h VAL 73 Ca -0.01 -0.35 0.23 0.00 -1.23 0.00 0.00 66.70 65.33 1wj4 h VAL 73 Cb 0.15 -0.09 -0.15 0.00 -2.13 0.00 0.00 31.29 29.08 1wj4 h VAL 73 CO 0.00 0.18 0.13 -0.61 -1.23 0.00 0.00 177.57 176.05 1wj4 h GLN 74 N 1.01 0.13 0.07 5.19 4.15 -0.51 0.50 115.11 125.65 1wj4 h GLN 74 Ca 0.43 -0.01 -0.25 0.00 0.77 0.00 0.00 58.65 59.59 1wj4 h GLN 74 Cb 0.31 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.98 1wj4 h GLN 74 CO -0.18 0.09 -1.10 0.77 -1.93 0.00 0.00 178.83 176.48 1wj4 h SER 75 N 0.14 0.52 -1.09 -0.69 0.02 -0.40 -3.12 113.55 108.92 1wj4 h SER 75 Ca 0.52 -0.48 0.30 0.00 -0.84 0.00 0.00 61.79 61.30 1wj4 h SER 75 Cb 1.04 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.33 1wj4 h SER 75 CO -0.71 1.31 0.72 0.11 -1.14 0.00 0.00 176.83 177.13 1wj4 h LYS 76 N 0.17 0.27 0.00 3.45 1.79 0.10 -3.43 116.57 118.92 1wj4 h LYS 76 Ca -0.11 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1wj4 h LYS 76 Cb 1.77 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.36 1wj4 h LYS 76 CO 0.19 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 179.15 1wj4 n GLY 77 N -1.54 0.50 3.15 3.86 0.00 -0.45 -5.08 105.19 105.62 1wj4 n GLY 77 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.59 -1.78 0.09 1.61 1.51 -1.07 -5.03 117.35 112.08 1wj4 s TYR 78 Ca 0.00 0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 56.62 1wj4 s TYR 78 Cb 0.00 0.29 -0.06 0.00 -0.11 0.00 0.00 41.96 42.08 1wj4 s TYR 78 CO 0.00 -1.10 1.15 -1.25 -1.11 0.00 0.00 175.55 173.24 1wj4 s PRO 79 N 2.61 4.48 0.12 -1.71 0.04 -1.26 -3.21 135.00 136.07 1wj4 s PRO 79 Ca 0.11 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 1wj4 s PRO 79 Cb -0.09 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 1wj4 s PRO 79 CO -0.22 -0.15 1.43 -0.97 0.04 0.00 0.00 177.00 177.13 1wj4 h ASN 80 N 6.36 -1.60 -1.80 6.66 -1.24 -1.90 1.60 115.58 123.65 1wj4 h ASN 80 Ca -0.42 0.23 0.52 0.00 0.71 0.00 0.00 56.30 57.34 1wj4 h ASN 80 Cb 1.21 0.68 -0.07 0.00 0.73 0.00 0.00 38.32 40.88 1wj4 h ASN 80 CO 0.78 -0.25 1.34 -1.84 -1.29 0.00 0.00 177.43 176.16 1wj4 n GLU 81 N -4.80 0.00 0.00 6.67 0.28 -1.26 -2.14 120.64 119.38 1wj4 n GLU 81 Ca -0.01 1.02 0.00 0.00 -0.16 0.00 0.00 57.16 58.01 1wj4 n GLU 81 Cb 0.24 -2.37 0.00 0.00 1.43 0.00 0.00 31.44 30.74 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 -3.76 0.00 -3.74 3.44 1.74 0.46 -4.86 116.66 109.95 1wj4 n ARG 82 Ca 0.41 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 57.19 1wj4 n ARG 82 Cb 1.88 -0.43 -0.08 0.00 -1.02 0.00 0.00 32.46 32.81 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 -0.69 3.41 0.10 -1.55 0.40 0.35 0.12 117.98 120.12 1wj4 s PHE 83 Ca 0.00 0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.65 1wj4 s PHE 83 Cb 0.00 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1wj4 s PHE 83 CO 0.00 0.30 0.28 -1.83 0.70 0.00 0.00 175.22 174.67 1wj4 s GLU 84 N 0.32 3.51 -0.08 0.44 -1.05 0.57 -3.40 118.70 119.01 1wj4 s GLU 84 Ca 0.08 -0.31 -0.16 0.00 -0.15 0.00 0.00 54.97 54.43 1wj4 s GLU 84 Cb -0.11 -2.96 -0.05 0.00 -0.44 0.00 0.00 34.13 30.57 1wj4 s GLU 84 CO -0.02 0.54 0.42 -0.51 0.95 0.00 0.00 175.26 176.64 1wj4 s LEU 85 N -2.63 4.35 0.43 1.83 1.43 -1.26 -0.09 118.68 122.74 1wj4 s LEU 85 Ca 0.37 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.34 1wj4 s LEU 85 Cb -0.13 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1wj4 s LEU 85 CO 0.27 0.15 0.03 -0.76 0.23 0.00 0.00 176.35 176.27 1wj4 s LEU 86 N -0.10 2.47 0.00 1.79 1.43 0.26 -1.69 118.68 122.83 1wj4 s LEU 86 Ca 0.23 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 1wj4 s LEU 86 Cb -0.15 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.40 1wj4 s LEU 86 CO 0.10 -0.66 0.00 0.35 0.23 0.00 0.00 176.35 176.37 1wj4 n THR 87 N -1.01 0.00 -2.47 5.49 -2.24 -0.44 0.51 114.28 114.12 1wj4 n THR 87 Ca -0.09 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1wj4 n THR 87 Cb 0.67 -0.20 0.12 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.23 4.09 0.19 3.42 3.84 -1.06 -4.54 114.94 120.65 1wj4 s ASN 88 Ca 0.00 -0.26 -0.20 0.00 0.21 0.00 0.00 52.86 52.61 1wj4 s ASN 88 Cb 0.00 -0.04 -0.12 0.00 -0.55 0.00 0.00 41.25 40.54 1wj4 s ASN 88 CO 0.00 -2.05 0.31 2.22 -2.79 0.00 0.00 177.10 174.79 1wj4 n PHE 89 N -3.02 -0.66 -0.00 0.43 1.16 -1.26 -2.93 117.46 111.18 1wj4 n PHE 89 Ca 0.15 0.66 -0.17 0.00 -1.87 0.00 0.00 57.45 56.21 1wj4 n PHE 89 Cb 0.60 -1.42 -0.10 0.00 -1.61 0.00 0.00 39.48 36.95 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 0.62 0.52 0.00 3.97 0.13 -2.05 -3.46 132.00 131.72 1wj4 h PRO 90 Ca -0.22 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1wj4 h PRO 90 Cb 1.07 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wj4 h PRO 90 CO 0.40 1.14 0.00 0.54 -0.23 0.00 0.00 178.00 179.85 1wj4 n ARG 91 N -4.14 0.00 -4.10 0.86 5.12 -1.15 -5.09 116.66 108.15 1wj4 n ARG 91 Ca -0.10 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.49 1wj4 n ARG 91 Cb 0.69 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.92 1wj4 n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1wj4 s ARG 92 N 0.00 3.09 -0.19 5.56 0.52 -1.26 -4.96 118.95 121.71 1wj4 s ARG 92 Ca 0.00 -0.47 -0.05 0.00 -0.52 0.00 0.00 55.73 54.69 1wj4 s ARG 92 Cb 0.00 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 1wj4 s ARG 92 CO 0.00 0.65 0.00 0.15 0.02 0.00 0.00 175.30 176.13 1wj4 s LYS 93 N -1.68 3.69 -0.76 3.54 1.02 -1.26 -1.33 119.74 122.96 1wj4 s LYS 93 Ca 0.22 -0.49 -0.21 0.00 0.02 0.00 0.00 55.97 55.51 1wj4 s LYS 93 Cb -0.12 -3.06 0.09 0.00 -0.52 0.00 0.00 37.83 34.22 1wj4 s LYS 93 CO 0.13 0.12 1.02 -0.51 -0.92 0.00 0.00 175.35 175.19 1wj4 s LEU 94 N 0.72 4.64 0.03 3.17 1.43 -0.68 -4.34 118.68 123.65 1wj4 s LEU 94 Ca 0.00 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 1wj4 s LEU 94 Cb -0.14 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1wj4 s LEU 94 CO 0.02 -1.30 0.00 -0.24 0.23 0.00 0.00 176.35 175.06 1wj4 n SER 95 N 7.28 -0.31 -0.38 2.29 2.88 -1.26 -4.54 113.62 119.57 1wj4 n SER 95 Ca 0.07 0.14 -0.05 0.00 -1.33 0.00 0.00 58.87 57.69 1wj4 n SER 95 Cb 0.47 0.49 -0.01 0.00 -0.75 0.00 0.00 64.21 64.40 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 -1.37 0.00 0.66 2.07 -2.02 -2.90 115.15 111.59 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 0.74 0.00 0.00 2.57 0.00 0.00 27.41 30.72 1wj4 h HIS 96 CO 0.00 -0.39 0.00 1.47 -3.07 0.00 0.00 177.93 175.94 1wj4 n LEU 97 N -5.39 0.00 0.00 6.12 -0.00 -1.26 -4.98 117.00 111.48 1wj4 n LEU 97 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1wj4 n LEU 97 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 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 0.00 0.00 0.00 1.45 9.92 -1.10 -5.03 116.55 121.80 1wj4 n ASP 98 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1wj4 n ASP 98 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.91 0.00 0.54 1.24 4.01 -1.26 -4.66 117.16 117.94 1wj4 n TYR 99 Ca 0.00 -0.10 0.11 0.00 -0.16 0.00 0.00 57.90 57.75 1wj4 n TYR 99 Cb 0.00 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.10 0.57 -3.56 7.72 -0.08 -1.26 -3.40 116.55 116.44 1wj4 n ASP 100 Ca 0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 1wj4 n ASP 100 Cb 0.20 1.15 0.00 0.00 2.34 0.00 0.00 41.12 44.81 1wj4 n ASP 100 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wj4 n ILE 101 N -1.92 0.00 -4.38 5.18 -5.35 -1.26 -4.86 119.36 106.77 1wj4 n ILE 101 Ca 0.01 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.25 1wj4 n ILE 101 Cb 0.44 -0.86 -0.11 0.00 -1.74 0.00 0.00 39.64 37.37 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 -0.01 2.08 0.59 7.28 -4.23 -1.26 -3.55 115.64 116.53 1wj4 s THR 102 Ca 0.00 -2.03 0.34 0.00 -1.18 0.00 0.00 61.69 58.83 1wj4 s THR 102 Cb 0.00 -2.00 0.50 0.00 1.34 0.00 0.00 72.50 72.34 1wj4 s THR 102 CO 0.00 -0.27 1.52 -0.07 -0.54 0.00 0.00 174.62 175.27 1wj4 h LEU 103 N 3.09 0.00 0.22 4.79 4.07 0.64 0.57 115.31 128.69 1wj4 h LEU 103 Ca -0.43 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.52 1wj4 h LEU 103 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1wj4 h LEU 103 CO 0.51 0.00 -0.10 -0.61 -1.08 0.00 0.00 178.44 177.16 1wj4 h GLN 104 N 0.00 -0.28 -0.51 1.13 4.15 -1.82 0.45 115.11 118.23 1wj4 h GLN 104 Ca 0.57 0.02 0.10 0.00 0.77 0.00 0.00 58.65 60.11 1wj4 h GLN 104 Cb 2.80 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 30.45 1wj4 h GLN 104 CO -0.01 0.00 -0.22 0.93 -1.93 0.00 0.00 178.83 177.61 1wj4 h GLU 105 N -1.00 -0.10 -0.02 1.69 5.08 -0.23 1.42 114.58 121.42 1wj4 h GLU 105 Ca -0.03 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1wj4 h GLU 105 Cb 0.42 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1wj4 h GLU 105 CO 0.05 -0.07 0.27 0.00 -1.00 0.00 0.00 179.01 178.26 1wj4 h ALA 106 N 1.25 1.31 -0.86 3.43 0.00 -1.33 -3.45 119.26 119.62 1wj4 h ALA 106 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wj4 h ALA 106 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wj4 h ALA 106 CO -0.58 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 178.80 1wj4 n GLY 107 N -1.21 0.85 0.00 0.00 0.00 0.49 -4.98 105.19 100.34 1wj4 n GLY 107 Ca -0.02 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 0.17 -4.86 0.99 7.99 0.16 -4.88 117.00 116.13 1wj4 n LEU 108 Ca 0.00 -0.18 -0.34 0.00 -0.01 0.00 0.00 56.01 55.48 1wj4 n LEU 108 Cb 0.34 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.60 1wj4 n LEU 108 CO 0.00 0.04 0.19 0.00 -1.51 0.00 0.00 177.39 176.11 1wj4 h PRO 110 N 3.16 -0.16 -4.87 0.00 0.13 -1.94 -3.47 132.00 124.85 1wj4 h PRO 110 Ca -0.48 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.03 1wj4 h PRO 110 Cb 1.18 0.04 -0.35 0.00 0.13 0.00 0.00 31.00 32.00 1wj4 h PRO 110 CO 0.67 0.29 -0.85 -0.65 -0.23 0.00 0.00 178.00 177.24 1wj4 s GLN 111 N -2.94 2.61 0.24 0.86 -0.21 -1.19 -2.48 119.66 116.55 1wj4 s GLN 111 Ca -0.12 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.62 1wj4 s GLN 111 Cb -0.00 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 1wj4 s GLN 111 CO 0.43 -0.18 -0.02 -2.00 -2.12 0.00 0.00 175.29 171.40 1wj4 s GLU 112 N 1.28 1.39 -0.33 2.91 2.56 -0.56 -4.96 118.70 120.99 1wj4 s GLU 112 Ca 0.02 -1.70 -0.08 0.00 0.00 0.00 0.00 54.97 53.21 1wj4 s GLU 112 Cb -0.13 -0.74 0.02 0.00 2.00 0.00 0.00 34.13 35.27 1wj4 s GLU 112 CO -0.09 -0.07 0.13 0.99 -0.56 0.00 0.00 175.26 175.66 1wj4 s THR 113 N -3.32 4.19 -0.06 -1.70 2.01 -1.26 -1.39 115.64 114.11 1wj4 s THR 113 Ca 0.29 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.32 1wj4 s THR 113 Cb 0.05 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1wj4 s THR 113 CO 0.09 -0.06 0.49 -0.69 -0.69 0.00 0.00 174.62 173.76 1wj4 s VAL 114 N 1.51 5.07 -0.14 3.82 1.01 0.40 -2.55 120.40 129.53 1wj4 s VAL 114 Ca 0.02 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1wj4 s VAL 114 Cb -0.18 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1wj4 s VAL 114 CO 0.04 0.42 -0.17 -0.36 0.00 0.00 0.00 175.10 175.03 1wj4 s PHE 115 N -0.03 2.25 -0.36 5.22 0.08 0.18 0.37 117.98 125.69 1wj4 s PHE 115 Ca 0.26 -1.18 -0.25 0.00 0.12 0.00 0.00 56.93 55.89 1wj4 s PHE 115 Cb -0.16 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1wj4 s PHE 115 CO 0.13 -0.60 0.87 0.08 -0.10 0.00 0.00 175.22 175.59 1wj4 s VAL 116 N 1.16 4.65 0.20 -0.44 1.01 0.15 0.89 120.40 128.01 1wj4 s VAL 116 Ca -0.02 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.13 1wj4 s VAL 116 Cb -0.14 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1wj4 s VAL 116 CO -0.06 -0.49 -0.17 -1.58 0.00 0.00 0.00 175.10 172.80 1wj4 s GLN 117 N 3.32 1.37 -0.32 2.72 0.74 0.87 -3.26 119.66 125.10 1wj4 s GLN 117 Ca 0.35 -1.54 -0.29 0.00 0.05 0.00 0.00 55.36 53.93 1wj4 s GLN 117 Cb -0.12 -1.34 0.01 0.00 1.10 0.00 0.00 33.01 32.65 1wj4 s GLN 117 CO 0.18 0.25 1.23 -2.00 -0.55 0.00 0.00 175.29 174.40 1wj4 s GLU 118 N -3.24 3.94 0.25 1.67 2.12 -1.26 0.21 118.70 122.39 1wj4 s GLU 118 Ca 0.21 1.15 -0.31 0.00 0.36 0.00 0.00 54.97 56.38 1wj4 s GLU 118 Cb -0.04 -3.84 -0.13 0.00 0.26 0.00 0.00 34.13 30.38 1wj4 s GLU 118 CO 0.08 -1.09 1.49 0.45 -0.54 0.00 0.00 175.26 175.65 1wj4 n SER 119 N 7.45 3.18 -2.27 -1.70 2.88 0.12 -4.77 113.62 118.51 1wj4 n SER 119 Ca 0.14 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1wj4 n SER 119 Cb 0.47 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1wj4 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj4 n GLY 120 N 2.26 -2.25 3.67 0.46 0.00 -1.26 -4.87 105.19 103.20 1wj4 n GLY 120 Ca 0.11 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 1wj4 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj4 s PRO 121 N 0.00 4.29 0.27 1.61 0.04 -1.26 -5.01 135.00 134.94 1wj4 s PRO 121 Ca 0.00 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1wj4 s PRO 121 Cb 0.00 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1wj4 s PRO 121 CO 0.00 -0.59 0.17 -1.54 0.04 0.00 0.00 177.00 175.08 1wj4 s SER 122 N 1.77 1.07 0.17 6.66 1.04 -1.26 -5.00 113.70 118.16 1wj4 s SER 122 Ca 0.56 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1wj4 s SER 122 Cb -0.24 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1wj4 s SER 122 CO 0.19 -0.89 0.00 -0.24 0.98 0.00 0.00 173.24 173.27 1wj4 n SER 123 N -0.79 0.00 0.00 7.02 2.88 -1.26 -5.24 113.62 116.24 1wj4 n SER 123 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1wj4 n SER 123 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42