#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj3 n SER 2 N 0.00 -8.46 0.00 1.61 7.64 -1.26 -5.10 113.62 108.06 1wj3 n SER 2 Ca 0.00 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1wj3 n SER 2 Cb 0.00 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 1wj3 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wj3 n SER 3 N -0.09 0.00 0.00 6.43 7.64 -1.26 -5.16 113.62 121.18 1wj3 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wj3 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wj3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj3 n GLY 4 N -0.16 -0.48 1.46 0.23 0.00 -1.26 -5.16 105.19 99.82 1wj3 n GLY 4 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1wj3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wj3 n SER 5 N 0.00 -7.45 0.00 1.61 7.64 -1.26 -5.10 113.62 109.05 1wj3 n SER 5 Ca 0.00 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1wj3 n SER 5 Cb 0.00 -3.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 1wj3 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wj3 n SER 6 N 0.58 0.00 -3.70 6.43 7.64 -1.26 -5.19 113.62 118.12 1wj3 n SER 6 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1wj3 n SER 6 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1wj3 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wj3 s GLY 7 N 0.00 -0.22 -0.08 0.23 0.00 -1.26 -5.16 107.32 100.83 1wj3 s GLY 7 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 44.72 45.02 1wj3 s GLY 7 CO 0.00 3.09 -0.23 -1.59 0.00 0.00 0.00 173.10 174.37 1wj3 s THR 8 N -2.21 1.94 -0.02 0.90 2.01 -1.26 -5.03 115.64 111.97 1wj3 s THR 8 Ca 0.22 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 1wj3 s THR 8 Cb 0.01 -1.67 -0.19 0.00 0.01 0.00 0.00 72.50 70.66 1wj3 s THR 8 CO -0.01 0.54 1.22 -0.37 -0.69 0.00 0.00 174.62 175.30 1wj3 h VAL 9 N 5.56 1.17 0.00 3.82 -1.51 -2.05 -3.46 116.25 119.78 1wj3 h VAL 9 Ca -0.24 -1.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 1wj3 h VAL 9 Cb 1.22 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 1wj3 h VAL 9 CO 0.47 0.24 0.00 -3.20 -1.23 0.00 0.00 177.57 173.86 1wj3 n ASN 10 N -4.92 0.00 -4.85 4.19 2.85 -1.26 -5.16 115.26 106.10 1wj3 n ASN 10 Ca -0.08 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.03 1wj3 n ASN 10 Cb 0.25 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.21 1wj3 n ASN 10 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1wj3 s VAL 11 N 0.00 5.01 0.00 3.44 -7.23 -1.26 -4.96 120.40 115.40 1wj3 s VAL 11 Ca 0.00 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 1wj3 s VAL 11 Cb 0.00 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.25 1wj3 s VAL 11 CO 0.00 0.35 0.00 0.35 -0.31 0.00 0.00 175.10 175.49 1wj3 n THR 12 N 1.11 0.00 -3.33 5.32 -2.24 -1.26 -4.82 114.28 109.06 1wj3 n THR 12 Ca -0.09 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.72 1wj3 n THR 12 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1wj3 n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wj3 s THR 13 N 0.00 -0.67 0.11 4.28 -1.32 -1.26 -5.17 115.64 111.61 1wj3 s THR 13 Ca 0.00 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.24 1wj3 s THR 13 Cb 0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1wj3 s THR 13 CO 0.00 0.00 0.60 -0.54 -2.21 0.00 0.00 174.62 172.47 1wj3 s LYS 14 N 2.74 1.21 0.49 7.08 1.02 -1.26 -5.17 119.74 125.85 1wj3 s LYS 14 Ca 0.03 -0.34 -0.02 0.00 0.02 0.00 0.00 55.97 55.66 1wj3 s LYS 14 Cb -0.10 0.56 -0.00 0.00 -0.52 0.00 0.00 37.83 37.77 1wj3 s LYS 14 CO -0.17 -0.50 0.74 0.15 -0.92 0.00 0.00 175.35 174.65 1wj3 s LYS 15 N -3.23 3.05 0.12 1.68 1.02 -1.26 -5.10 119.74 116.02 1wj3 s LYS 15 Ca -0.01 -0.33 -0.09 0.00 0.02 0.00 0.00 55.97 55.56 1wj3 s LYS 15 Cb -0.01 -2.47 -0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1wj3 s LYS 15 CO -0.08 -0.38 0.24 0.95 -0.92 0.00 0.00 175.35 175.16 1wj3 s THR 16 N -2.68 0.11 0.53 2.17 -4.23 -1.26 -4.77 115.64 105.51 1wj3 s THR 16 Ca 0.50 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1wj3 s THR 16 Cb -0.10 -1.54 -0.07 0.00 1.34 0.00 0.00 72.50 72.13 1wj3 s THR 16 CO 0.40 -0.48 1.04 -2.16 -0.54 0.00 0.00 174.62 172.88 1wj3 s PRO 17 N -3.90 3.62 0.47 3.99 0.04 -1.26 -0.34 135.00 137.62 1wj3 s PRO 17 Ca 0.10 1.28 -0.21 0.00 0.04 0.00 0.00 61.00 62.21 1wj3 s PRO 17 Cb 0.04 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1wj3 s PRO 17 CO -0.06 -0.57 1.04 -1.25 0.04 0.00 0.00 177.00 176.19 1wj3 s PRO 18 N -3.61 3.86 -0.24 0.56 0.04 -1.26 -4.83 135.00 129.52 1wj3 s PRO 18 Ca 0.65 1.39 0.03 0.00 0.04 0.00 0.00 61.00 63.11 1wj3 s PRO 18 Cb -0.16 -2.17 0.39 0.00 0.04 0.00 0.00 34.50 32.60 1wj3 s PRO 18 CO 0.27 -0.38 1.47 0.43 0.04 0.00 0.00 177.00 178.83 1wj3 n SER 19 N -0.82 3.45 -4.39 6.66 7.64 -1.26 -4.11 113.62 120.80 1wj3 n SER 19 Ca 0.09 -2.85 -0.41 0.00 1.01 0.00 0.00 58.87 56.71 1wj3 n SER 19 Cb 0.52 -0.68 -0.11 0.00 -1.01 0.00 0.00 64.21 62.93 1wj3 n SER 19 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wj3 s GLN 20 N -1.86 2.84 0.54 1.43 -0.21 -1.26 -4.82 119.66 116.31 1wj3 s GLN 20 Ca 0.32 -1.09 -0.18 0.00 0.02 0.00 0.00 55.36 54.42 1wj3 s GLN 20 Cb 0.26 -3.79 -0.06 0.00 1.00 0.00 0.00 33.01 30.42 1wj3 s GLN 20 CO 0.07 -0.73 1.04 -1.25 -2.12 0.00 0.00 175.29 172.30 1wj3 s PRO 21 N 1.57 3.60 -0.08 2.91 0.04 -1.26 -4.64 135.00 137.14 1wj3 s PRO 21 Ca 0.03 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1wj3 s PRO 21 Cb -0.19 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1wj3 s PRO 21 CO 0.07 -0.59 1.23 -1.25 0.04 0.00 0.00 177.00 176.50 1wj3 s PRO 22 N -3.67 4.32 0.29 0.56 0.04 -1.26 -4.93 135.00 130.35 1wj3 s PRO 22 Ca 0.65 1.69 0.05 0.00 0.04 0.00 0.00 61.00 63.43 1wj3 s PRO 22 Cb -0.16 -3.61 0.05 0.00 0.04 0.00 0.00 34.50 30.82 1wj3 s PRO 22 CO 0.28 -0.52 0.41 0.41 0.04 0.00 0.00 177.00 177.62 1wj3 n GLY 23 N 3.45 1.87 2.33 0.56 0.00 -1.26 -4.44 105.19 107.69 1wj3 n GLY 23 Ca 0.12 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 1wj3 n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wj3 n ASN 24 N -2.68 -4.48 -4.56 1.61 5.15 -1.26 0.18 115.26 109.21 1wj3 n ASN 24 Ca 0.08 0.39 -0.20 0.00 -0.60 0.00 0.00 54.58 54.26 1wj3 n ASN 24 Cb 0.30 -3.97 -0.06 0.00 -0.53 0.00 0.00 39.78 35.52 1wj3 n ASN 24 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1wj3 s VAL 25 N -2.34 3.09 0.14 3.44 1.01 -1.25 -4.18 120.40 120.30 1wj3 s VAL 25 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1wj3 s VAL 25 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1wj3 s VAL 25 CO 0.00 -0.19 0.10 0.68 0.00 0.00 0.00 175.10 175.69 1wj3 s VAL 26 N 13.53 4.40 0.43 2.92 -7.23 0.53 -4.94 120.40 130.03 1wj3 s VAL 26 Ca 0.89 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.07 1wj3 s VAL 26 Cb -0.13 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.59 1wj3 s VAL 26 CO 0.10 -0.03 0.12 -1.66 -0.31 0.00 0.00 175.10 173.31 1wj3 s TRP 27 N -1.63 1.79 -0.02 2.82 1.48 -1.26 -0.27 118.94 121.86 1wj3 s TRP 27 Ca 0.30 -1.26 -0.30 0.00 -1.06 0.00 0.00 56.10 53.78 1wj3 s TRP 27 Cb -0.11 -1.21 0.11 0.00 -1.16 0.00 0.00 33.47 31.11 1wj3 s TRP 27 CO 0.22 -0.25 1.16 -0.80 -4.06 0.00 0.00 176.95 173.23 1wj3 s ASN 28 N -3.65 -0.13 -0.12 -2.66 0.01 -0.94 -4.96 114.94 102.49 1wj3 s ASN 28 Ca 0.21 -0.15 -0.02 0.00 -0.71 0.00 0.00 52.86 52.19 1wj3 s ASN 28 Cb 0.02 0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.97 1wj3 s ASN 28 CO 0.13 -0.44 -0.00 0.00 -1.51 0.00 0.00 177.10 175.27 1wj3 s ALA 29 N -2.67 0.93 0.02 0.60 0.00 -1.26 -2.11 121.76 117.27 1wj3 s ALA 29 Ca 0.12 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1wj3 s ALA 29 Cb 0.02 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.25 1wj3 s ALA 29 CO -0.03 -0.67 0.37 -0.08 0.00 0.00 0.00 175.76 175.35 1wj3 s THR 30 N 1.88 0.06 -1.69 0.00 -1.32 0.75 -4.90 115.64 110.42 1wj3 s THR 30 Ca 0.03 -0.49 -0.14 0.00 -1.21 0.00 0.00 61.69 59.88 1wj3 s THR 30 Cb -0.14 -0.85 0.13 0.00 -1.51 0.00 0.00 72.50 70.14 1wj3 s THR 30 CO -0.07 -0.27 0.53 0.47 -2.21 0.00 0.00 174.62 173.08 1wj3 n ASP 31 N 0.79 -1.65 -3.94 8.08 8.00 -1.26 0.19 116.55 126.76 1wj3 n ASP 31 Ca -0.20 -1.14 -0.31 0.00 0.71 0.00 0.00 54.79 53.86 1wj3 n ASP 31 Cb 0.58 -2.22 0.02 0.00 -0.02 0.00 0.00 41.12 39.48 1wj3 n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wj3 n THR 32 N -4.32 -1.95 -4.04 -3.53 -2.24 -1.26 -4.95 114.28 91.98 1wj3 n THR 32 Ca -0.04 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1wj3 n THR 32 Cb 0.54 -2.76 -0.09 0.00 -2.10 0.00 0.00 70.33 65.92 1wj3 n THR 32 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wj3 s LYS 33 N -6.65 0.78 -0.33 -0.78 2.20 0.49 -4.22 119.74 111.24 1wj3 s LYS 33 Ca 0.67 -1.21 -0.01 0.00 -0.36 0.00 0.00 55.97 55.06 1wj3 s LYS 33 Cb -0.34 0.26 0.07 0.00 -1.51 0.00 0.00 37.83 36.31 1wj3 s LYS 33 CO 0.84 -0.21 0.05 0.08 -0.36 0.00 0.00 175.35 175.75 1wj3 s VAL 34 N -3.94 2.90 -0.41 4.02 1.01 0.61 -0.18 120.40 124.41 1wj3 s VAL 34 Ca 0.12 -1.69 -0.22 0.00 0.00 0.00 0.00 61.98 60.18 1wj3 s VAL 34 Cb 0.07 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1wj3 s VAL 34 CO -0.07 -0.30 0.73 -0.76 0.00 0.00 0.00 175.10 174.71 1wj3 s LEU 35 N 1.17 4.27 0.06 3.92 1.43 -0.89 -0.40 118.68 128.22 1wj3 s LEU 35 Ca -0.00 -0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1wj3 s LEU 35 Cb -0.20 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 1wj3 s LEU 35 CO -0.03 -0.79 0.30 -0.76 0.23 0.00 0.00 176.35 175.29 1wj3 s LEU 36 N 3.07 4.34 -0.22 1.79 1.43 0.41 -2.22 118.68 127.28 1wj3 s LEU 36 Ca 0.28 0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 53.83 1wj3 s LEU 36 Cb -0.13 -2.91 0.09 0.00 0.03 0.00 0.00 46.19 43.27 1wj3 s LEU 36 CO 0.19 0.18 0.49 0.20 0.23 0.00 0.00 176.35 177.65 1wj3 s ASN 37 N -2.02 -0.57 0.09 2.29 -0.87 0.63 -1.42 114.94 113.06 1wj3 s ASN 37 Ca 0.33 1.15 0.02 0.00 -1.57 0.00 0.00 52.86 52.78 1wj3 s ASN 37 Cb -0.13 1.39 -0.04 0.00 -0.02 0.00 0.00 41.25 42.45 1wj3 s ASN 37 CO 0.20 -0.22 -0.07 -1.66 -2.57 0.00 0.00 177.10 172.78 1wj3 s TRP 38 N 2.24 0.85 1.01 2.20 -2.14 0.42 0.20 118.94 123.72 1wj3 s TRP 38 Ca -0.05 -0.83 -0.17 0.00 2.66 0.00 0.00 56.10 57.70 1wj3 s TRP 38 Cb -0.10 -0.49 0.25 0.00 -3.10 0.00 0.00 33.47 30.03 1wj3 s TRP 38 CO -0.15 -0.14 0.83 0.39 -2.66 0.00 0.00 176.95 175.23 1wj3 n GLU 39 N 0.25 -3.02 -2.94 3.25 -0.58 0.47 -4.59 120.64 113.48 1wj3 n GLU 39 Ca -0.14 -1.35 -0.19 0.00 -0.42 0.00 0.00 57.16 55.06 1wj3 n GLU 39 Cb 0.60 -1.34 0.04 0.00 -0.57 0.00 0.00 31.44 30.16 1wj3 n GLU 39 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1wj3 s GLN 40 N -4.91 2.54 -0.11 3.49 -2.07 -1.26 -4.54 119.66 112.80 1wj3 s GLN 40 Ca 0.56 -1.30 -0.02 0.00 -1.82 0.00 0.00 55.36 52.77 1wj3 s GLN 40 Cb -0.06 -2.66 0.04 0.00 -1.09 0.00 0.00 33.01 29.24 1wj3 s GLN 40 CO 0.44 -0.60 0.01 0.08 -1.32 0.00 0.00 175.29 173.89 1wj3 s VAL 41 N -2.56 0.42 -0.26 3.63 1.01 -1.26 -4.65 120.40 116.73 1wj3 s VAL 41 Ca 0.58 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1wj3 s VAL 41 Cb -0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1wj3 s VAL 41 CO 0.36 0.11 0.55 -0.54 0.00 0.00 0.00 175.10 175.58 1wj3 s LYS 42 N 1.94 4.06 0.51 2.72 -0.14 -1.26 -4.17 119.74 123.40 1wj3 s LYS 42 Ca 0.03 0.36 -0.23 0.00 -1.36 0.00 0.00 55.97 54.77 1wj3 s LYS 42 Cb -0.14 -3.66 -0.06 0.00 -1.68 0.00 0.00 37.83 32.29 1wj3 s LYS 42 CO -0.06 -0.39 1.39 0.00 -0.76 0.00 0.00 175.35 175.54 1wj3 n ALA 43 N 5.60 1.78 -1.00 5.17 0.00 -1.26 -4.95 120.51 125.85 1wj3 n ALA 43 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wj3 n ALA 43 Cb 0.49 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1wj3 n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wj3 n MET 44 N -0.72 0.42 -2.46 0.00 2.81 -1.26 -4.86 117.12 111.06 1wj3 n MET 44 Ca 0.08 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.55 1wj3 n MET 44 Cb 0.43 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.92 1wj3 n MET 44 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1wj3 s GLU 45 N -1.25 4.28 0.00 0.03 2.56 -1.26 -2.24 118.70 120.82 1wj3 s GLU 45 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 54.97 56.61 1wj3 s GLU 45 Cb 0.00 -3.68 0.00 0.00 2.00 0.00 0.00 34.13 32.45 1wj3 s GLU 45 CO 0.00 -0.61 0.00 -1.71 -0.56 0.00 0.00 175.26 172.38 1wj3 n ASN 46 N 6.09 0.00 -4.89 -1.70 2.85 -1.26 -5.01 115.26 111.33 1wj3 n ASN 46 Ca 0.13 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.31 1wj3 n ASN 46 Cb 0.45 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.45 1wj3 n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1wj3 s GLU 47 N -0.15 3.69 -0.12 1.20 8.01 -0.95 -4.45 118.70 125.94 1wj3 s GLU 47 Ca 0.00 0.24 -0.21 0.00 0.01 0.00 0.00 54.97 55.00 1wj3 s GLU 47 Cb 0.00 -2.50 -0.03 0.00 -4.31 0.00 0.00 34.13 27.29 1wj3 s GLU 47 CO 0.00 0.06 0.63 -1.12 0.01 0.00 0.00 175.26 174.83 1wj3 s SER 48 N -3.27 6.83 0.99 -0.19 0.01 0.54 -4.63 113.70 113.98 1wj3 s SER 48 Ca 0.48 1.00 -0.12 0.00 1.31 0.00 0.00 55.95 58.61 1wj3 s SER 48 Cb -0.10 -2.36 0.12 0.00 0.21 0.00 0.00 66.02 63.88 1wj3 s SER 48 CO 0.32 -0.14 0.74 -1.84 0.41 0.00 0.00 173.24 172.74 1wj3 n GLU 49 N 4.13 -0.79 -2.71 12.44 0.28 -1.26 -4.11 120.64 128.62 1wj3 n GLU 49 Ca -0.03 -0.18 -0.43 0.00 -0.16 0.00 0.00 57.16 56.36 1wj3 n GLU 49 Cb 0.51 -2.09 -0.03 0.00 1.43 0.00 0.00 31.44 31.26 1wj3 n GLU 49 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1wj3 s VAL 50 N -2.48 4.42 -2.08 3.84 1.01 -1.26 -4.63 120.40 119.22 1wj3 s VAL 50 Ca 0.62 1.19 0.26 0.00 0.00 0.00 0.00 61.98 64.05 1wj3 s VAL 50 Cb -0.21 -4.46 0.27 0.00 0.00 0.00 0.00 36.38 31.97 1wj3 s VAL 50 CO 0.63 -0.76 1.49 0.35 0.00 0.00 0.00 175.10 176.81 1wj3 n THR 51 N 6.36 0.00 -1.59 3.92 -2.24 -1.09 -5.00 114.28 114.63 1wj3 n THR 51 Ca 0.09 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wj3 n THR 51 Cb 0.48 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1wj3 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wj3 n GLY 52 N 1.32 -1.60 3.14 3.38 0.00 -1.12 -4.78 105.19 105.53 1wj3 n GLY 52 Ca 0.13 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1wj3 n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wj3 s TYR 53 N -2.47 0.68 -0.19 1.61 2.02 0.07 -0.95 117.35 118.12 1wj3 s TYR 53 Ca 0.00 -1.12 0.01 0.00 -0.37 0.00 0.00 57.07 55.59 1wj3 s TYR 53 Cb 0.00 -0.41 0.03 0.00 -0.40 0.00 0.00 41.96 41.18 1wj3 s TYR 53 CO 0.00 -0.48 -0.15 0.15 -1.57 0.00 0.00 175.55 173.50 1wj3 s LYS 54 N -3.99 2.53 -0.38 -0.62 1.02 0.65 -2.80 119.74 116.16 1wj3 s LYS 54 Ca 0.16 -0.86 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 1wj3 s LYS 54 Cb 0.07 -2.49 0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1wj3 s LYS 54 CO -0.03 -0.32 0.71 0.08 -0.92 0.00 0.00 175.35 174.87 1wj3 s VAL 55 N 1.32 4.79 -0.48 3.17 1.01 -0.86 -2.38 120.40 126.98 1wj3 s VAL 55 Ca 0.02 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 1wj3 s VAL 55 Cb -0.15 -4.17 0.11 0.00 0.00 0.00 0.00 36.38 32.17 1wj3 s VAL 55 CO -0.10 -0.44 0.37 -0.36 0.00 0.00 0.00 175.10 174.56 1wj3 s PHE 56 N 2.95 3.36 -0.11 5.22 0.40 0.64 -1.59 117.98 128.86 1wj3 s PHE 56 Ca 0.28 -1.63 -0.02 0.00 -0.60 0.00 0.00 56.93 54.96 1wj3 s PHE 56 Cb -0.14 -3.44 -0.03 0.00 0.51 0.00 0.00 43.02 39.92 1wj3 s PHE 56 CO 0.17 -0.96 -0.04 1.52 0.70 0.00 0.00 175.22 176.61 1wj3 s TYR 57 N 1.44 3.03 -0.18 0.36 1.13 -1.23 0.22 117.35 122.11 1wj3 s TYR 57 Ca 0.05 -0.06 -0.17 0.00 -1.41 0.00 0.00 57.07 55.47 1wj3 s TYR 57 Cb -0.26 -1.83 0.05 0.00 -1.10 0.00 0.00 41.96 38.82 1wj3 s TYR 57 CO 0.01 0.22 0.49 -0.98 -2.51 0.00 0.00 175.55 172.78 1wj3 s ARG 58 N -0.36 0.57 1.10 -3.49 1.70 0.20 -2.68 118.95 115.99 1wj3 s ARG 58 Ca 0.06 0.68 -0.14 0.00 -0.47 0.00 0.00 55.73 55.86 1wj3 s ARG 58 Cb -0.12 0.28 0.18 0.00 -0.57 0.00 0.00 34.95 34.72 1wj3 s ARG 58 CO 0.02 -0.07 0.64 0.25 -1.08 0.00 0.00 175.30 175.06 1wj3 n THR 59 N 2.81 0.00 -0.24 4.99 -2.24 -1.26 0.21 114.28 118.54 1wj3 n THR 59 Ca -0.13 -0.31 0.05 0.00 -2.27 0.00 0.00 64.05 61.38 1wj3 n THR 59 Cb 0.57 -0.83 0.16 0.00 -2.10 0.00 0.00 70.33 68.13 1wj3 n THR 59 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wj3 h SER 60 N -2.25 -0.13 -3.48 3.42 4.64 0.14 -3.14 113.55 112.76 1wj3 h SER 60 Ca -0.54 0.16 -0.63 0.00 -0.47 0.00 0.00 61.79 60.31 1wj3 h SER 60 Cb 1.33 0.25 -0.42 0.00 -0.31 0.00 0.00 62.40 63.25 1wj3 h SER 60 CO 0.43 -0.09 -0.61 -0.44 -0.87 0.00 0.00 176.83 175.25 1wj3 s SER 61 N -5.22 4.55 0.19 4.97 0.01 -1.26 -4.97 113.70 111.97 1wj3 s SER 61 Ca -0.13 -3.55 0.10 0.00 1.31 0.00 0.00 55.95 53.68 1wj3 s SER 61 Cb 0.21 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 1wj3 s SER 61 CO 0.75 -0.13 -0.17 -1.58 0.41 0.00 0.00 173.24 172.52 1wj3 s GLN 62 N -1.02 1.79 -0.13 12.44 0.74 -1.19 -5.07 119.66 127.22 1wj3 s GLN 62 Ca 0.23 -1.42 -0.08 0.00 0.05 0.00 0.00 55.36 54.13 1wj3 s GLN 62 Cb -0.11 -1.99 -0.04 0.00 1.10 0.00 0.00 33.01 31.97 1wj3 s GLN 62 CO -0.11 0.41 -0.05 -0.91 -0.55 0.00 0.00 175.29 174.08 1wj3 h ASN 63 N 2.98 0.00 -3.34 6.67 4.21 -1.98 -3.47 115.58 120.66 1wj3 h ASN 63 Ca -0.46 -0.08 -0.63 0.00 1.21 0.00 0.00 56.30 56.35 1wj3 h ASN 63 Cb 1.21 0.00 -0.33 0.00 -1.12 0.00 0.00 38.32 38.08 1wj3 h ASN 63 CO 0.52 0.73 -0.86 0.20 -1.29 0.00 0.00 177.43 176.73 1wj3 s ASN 64 N -5.77 2.68 0.51 5.81 -0.87 -1.26 -5.13 114.94 110.92 1wj3 s ASN 64 Ca -0.11 -0.48 -0.14 0.00 -1.57 0.00 0.00 52.86 50.56 1wj3 s ASN 64 Cb 0.01 -1.23 -0.07 0.00 -0.02 0.00 0.00 41.25 39.95 1wj3 s ASN 64 CO 0.19 0.10 0.95 0.54 -2.57 0.00 0.00 177.10 176.31 1wj3 s VAL 65 N 0.55 4.62 0.64 1.60 0.11 -1.26 -4.99 120.40 121.67 1wj3 s VAL 65 Ca -0.15 1.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.97 1wj3 s VAL 65 Cb -0.17 -3.76 0.10 0.00 -1.53 0.00 0.00 36.38 31.03 1wj3 s VAL 65 CO 0.05 -0.75 0.88 -1.10 -3.33 0.00 0.00 175.10 170.85 1wj3 s GLN 66 N -4.26 2.03 0.04 1.54 -1.52 -1.09 -4.97 119.66 111.43 1wj3 s GLN 66 Ca 0.56 -1.41 0.02 0.00 -1.95 0.00 0.00 55.36 52.58 1wj3 s GLN 66 Cb -0.10 -2.51 -0.02 0.00 -0.22 0.00 0.00 33.01 30.15 1wj3 s GLN 66 CO 0.36 -1.12 -0.06 0.08 -0.25 0.00 0.00 175.29 174.30 1wj3 s VAL 67 N -2.87 0.44 -0.03 1.09 1.01 -1.26 -3.50 120.40 115.28 1wj3 s VAL 67 Ca 0.64 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1wj3 s VAL 67 Cb -0.06 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.71 1wj3 s VAL 67 CO 0.41 -0.47 0.02 -0.22 0.00 0.00 0.00 175.10 174.84 1wj3 s LEU 68 N -1.71 0.90 0.16 3.92 0.20 -0.62 -4.92 118.68 116.61 1wj3 s LEU 68 Ca -0.09 -0.00 -0.30 0.00 0.69 0.00 0.00 54.13 54.42 1wj3 s LEU 68 Cb -0.08 -0.21 -0.07 0.00 -0.43 0.00 0.00 46.19 45.40 1wj3 s LEU 68 CO -0.01 -0.14 1.07 0.20 -0.29 0.00 0.00 176.35 177.18 1wj3 s ASN 69 N 1.34 7.32 -0.23 3.68 0.01 -1.26 -2.03 114.94 123.78 1wj3 s ASN 69 Ca -0.05 2.02 -0.09 0.00 -0.71 0.00 0.00 52.86 54.03 1wj3 s ASN 69 Cb -0.13 -2.60 0.09 0.00 0.41 0.00 0.00 41.25 39.02 1wj3 s ASN 69 CO -0.03 -0.19 0.51 0.28 -1.51 0.00 0.00 177.10 176.17 1wj3 s THR 70 N -0.18 -0.48 -0.35 1.60 -1.32 -1.12 -4.99 115.64 108.80 1wj3 s THR 70 Ca 0.49 0.09 0.11 0.00 -1.21 0.00 0.00 61.69 61.17 1wj3 s THR 70 Cb -0.28 -0.77 0.70 0.00 -1.51 0.00 0.00 72.50 70.64 1wj3 s THR 70 CO 0.34 0.04 1.60 -0.46 -2.21 0.00 0.00 174.62 173.92 1wj3 n ASN 71 N 4.97 5.01 -4.41 8.08 0.23 -1.26 -0.75 115.26 127.14 1wj3 n ASN 71 Ca -0.15 -2.85 -0.21 0.00 -0.53 0.00 0.00 54.58 50.84 1wj3 n ASN 71 Cb 0.52 -0.67 -0.10 0.00 -2.08 0.00 0.00 39.78 37.45 1wj3 n ASN 71 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1wj3 s LYS 72 N -2.55 1.64 -0.04 -3.83 -2.85 -1.26 -4.86 119.74 105.98 1wj3 s LYS 72 Ca 0.47 -1.92 0.07 0.00 -1.00 0.00 0.00 55.97 53.59 1wj3 s LYS 72 Cb 0.37 -0.76 0.26 0.00 -2.06 0.00 0.00 37.83 35.64 1wj3 s LYS 72 CO 0.13 -0.23 1.07 0.25 0.10 0.00 0.00 175.35 176.68 1wj3 n THR 73 N -0.67 0.66 -4.29 3.79 -2.24 -1.26 -4.60 114.28 105.67 1wj3 n THR 73 Ca -0.02 -0.42 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 1wj3 n THR 73 Cb 0.66 -0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 1wj3 n THR 73 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wj3 s SER 74 N -0.64 1.55 0.32 3.42 0.01 -1.26 -0.44 113.70 116.66 1wj3 s SER 74 Ca 0.19 -1.71 -0.18 0.00 1.31 0.00 0.00 55.95 55.56 1wj3 s SER 74 Cb 0.12 0.53 0.06 0.00 0.21 0.00 0.00 66.02 66.94 1wj3 s SER 74 CO 0.09 -1.03 0.86 0.00 0.41 0.00 0.00 173.24 173.57 1wj3 s ALA 75 N -3.52 -1.01 -0.16 1.44 0.00 -0.51 -4.88 121.76 113.11 1wj3 s ALA 75 Ca 0.40 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 1wj3 s ALA 75 Cb 0.03 0.70 0.08 0.00 0.00 0.00 0.00 23.12 23.93 1wj3 s ALA 75 CO 0.25 -1.01 0.31 -1.21 0.00 0.00 0.00 175.76 174.10 1wj3 s GLU 76 N -2.33 0.21 0.42 0.00 2.02 -1.26 -0.44 118.70 117.32 1wj3 s GLU 76 Ca 0.17 0.77 0.01 0.00 0.02 0.00 0.00 54.97 55.94 1wj3 s GLU 76 Cb -0.04 -0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.14 1wj3 s GLU 76 CO 0.09 -0.33 0.09 1.28 0.02 0.00 0.00 175.26 176.41 1wj3 n LEU 77 N 5.36 0.00 -4.93 1.80 4.77 0.46 -4.93 117.00 119.53 1wj3 n LEU 77 Ca -0.06 -2.48 -0.28 0.00 -0.03 0.00 0.00 56.01 53.16 1wj3 n LEU 77 Cb 0.50 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 1wj3 n LEU 77 CO 0.03 -0.41 -0.09 0.68 -1.33 0.00 0.00 177.39 176.27 1wj3 s VAL 78 N -2.39 5.32 0.45 4.08 -7.23 -1.26 -0.28 120.40 119.09 1wj3 s VAL 78 Ca 0.07 -0.53 -0.25 0.00 -1.81 0.00 0.00 61.98 59.46 1wj3 s VAL 78 Cb -0.01 -3.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.15 1wj3 s VAL 78 CO 0.04 -0.03 1.38 -1.48 -0.31 0.00 0.00 175.10 174.70 1wj3 s LEU 79 N -3.02 4.11 0.15 1.32 0.05 -1.26 -4.68 118.68 115.35 1wj3 s LEU 79 Ca 0.35 2.82 -0.30 0.00 0.05 0.00 0.00 54.13 57.05 1wj3 s LEU 79 Cb -0.12 -3.97 -0.07 0.00 -2.05 0.00 0.00 46.19 39.98 1wj3 s LEU 79 CO 0.28 -1.13 1.13 -2.16 -0.55 0.00 0.00 176.35 173.92 1wj3 s PRO 80 N -2.46 4.55 -0.04 1.48 0.04 -1.26 -4.98 135.00 132.33 1wj3 s PRO 80 Ca 0.61 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.39 1wj3 s PRO 80 Cb -0.41 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 30.84 1wj3 s PRO 80 CO 0.53 -0.01 0.00 0.82 0.04 0.00 0.00 177.00 178.38 1wj3 h ILE 81 N 3.90 0.00 -3.47 0.56 5.03 -1.97 -3.39 117.51 118.17 1wj3 h ILE 81 Ca -0.44 -0.40 -0.36 0.00 -0.12 0.00 0.00 64.86 63.54 1wj3 h ILE 81 Cb 1.21 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 34.84 1wj3 h ILE 81 CO 0.74 0.00 -0.73 -0.54 -0.68 0.00 0.00 178.15 176.94 1wj3 s LYS 82 N -1.22 1.03 0.49 2.37 1.02 -1.26 -4.85 119.74 117.32 1wj3 s LYS 82 Ca -0.00 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.65 1wj3 s LYS 82 Cb 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 1wj3 s LYS 82 CO 0.00 0.11 0.00 0.39 -0.92 0.00 0.00 175.35 174.93 1wj3 n GLU 83 N 0.16 -4.36 -0.65 1.68 1.02 -1.26 -4.76 120.64 112.47 1wj3 n GLU 83 Ca -0.13 3.24 -0.26 0.00 -0.02 0.00 0.00 57.16 60.00 1wj3 n GLU 83 Cb 0.59 -3.65 0.14 0.00 -0.02 0.00 0.00 31.44 28.50 1wj3 n GLU 83 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wj3 n ASP 84 N -0.82 -2.73 -3.93 1.62 8.00 -1.26 -4.29 116.55 113.14 1wj3 n ASP 84 Ca 0.00 -0.23 -0.27 0.00 0.71 0.00 0.00 54.79 55.00 1wj3 n ASP 84 Cb 0.00 -0.80 -0.17 0.00 -0.02 0.00 0.00 41.12 40.13 1wj3 n ASP 84 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1wj3 s TYR 85 N -2.12 1.56 -0.37 1.24 5.04 -0.53 0.16 117.35 122.33 1wj3 s TYR 85 Ca 0.43 -0.78 -0.14 0.00 -2.44 0.00 0.00 57.07 54.14 1wj3 s TYR 85 Cb -0.06 -1.26 0.00 0.00 0.35 0.00 0.00 41.96 40.99 1wj3 s TYR 85 CO 0.50 -0.51 0.30 0.42 -1.34 0.00 0.00 175.55 174.91 1wj3 s ILE 86 N 1.60 5.24 -0.01 3.14 1.09 0.55 -1.96 121.20 130.85 1wj3 s ILE 86 Ca 0.03 -0.35 0.02 0.00 -1.10 0.00 0.00 60.65 59.25 1wj3 s ILE 86 Cb -0.13 -3.84 -0.03 0.00 -1.06 0.00 0.00 42.46 37.40 1wj3 s ILE 86 CO -0.08 -0.17 -0.02 -0.63 -0.10 0.00 0.00 174.94 173.95 1wj3 s ILE 87 N 1.79 4.00 -0.02 2.92 1.01 -1.20 0.62 121.20 130.32 1wj3 s ILE 87 Ca 0.07 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1wj3 s ILE 87 Cb -0.18 -2.75 0.02 0.00 0.01 0.00 0.00 42.46 39.56 1wj3 s ILE 87 CO 0.11 0.43 -0.01 -1.61 0.00 0.00 0.00 174.94 173.86 1wj3 s GLU 88 N -1.38 0.28 -0.09 2.79 2.02 0.59 -0.17 118.70 122.74 1wj3 s GLU 88 Ca 0.18 0.02 0.03 0.00 0.02 0.00 0.00 54.97 55.22 1wj3 s GLU 88 Cb -0.11 -0.41 -0.01 0.00 0.10 0.00 0.00 34.13 33.70 1wj3 s GLU 88 CO 0.08 -0.08 -0.21 0.08 0.02 0.00 0.00 175.26 175.15 1wj3 s VAL 89 N 0.71 2.39 -0.01 2.63 1.01 -1.26 0.23 120.40 126.10 1wj3 s VAL 89 Ca -0.07 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1wj3 s VAL 89 Cb -0.10 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1wj3 s VAL 89 CO -0.01 0.56 0.03 -1.59 0.00 0.00 0.00 175.10 174.09 1wj3 s LYS 90 N 0.12 0.03 -0.02 2.72 -2.85 -1.00 0.83 119.74 119.57 1wj3 s LYS 90 Ca -0.10 0.06 -0.29 0.00 -1.00 0.00 0.00 55.97 54.64 1wj3 s LYS 90 Cb -0.16 -0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.57 1wj3 s LYS 90 CO 0.06 -0.02 0.96 0.00 0.10 0.00 0.00 175.35 176.44 1wj3 s ALA 91 N 0.14 3.21 -0.01 0.59 0.00 -1.24 -0.25 121.76 124.20 1wj3 s ALA 91 Ca -0.01 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.49 1wj3 s ALA 91 Cb -0.02 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1wj3 s ALA 91 CO -0.00 -0.27 -0.20 -0.08 0.00 0.00 0.00 175.76 175.21 1wj3 s THR 92 N 1.12 2.58 0.05 0.00 -1.32 -0.13 0.71 115.64 118.65 1wj3 s THR 92 Ca 0.50 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 1wj3 s THR 92 Cb -0.20 -1.99 -0.00 0.00 -1.51 0.00 0.00 72.50 68.80 1wj3 s THR 92 CO 0.26 0.52 0.00 0.35 -2.21 0.00 0.00 174.62 173.54 1wj3 n THR 93 N 2.16 0.00 0.47 5.08 -2.24 0.41 -2.69 114.28 117.47 1wj3 n THR 93 Ca -0.17 -0.26 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1wj3 n THR 93 Cb 0.52 0.06 0.40 0.00 -2.10 0.00 0.00 70.33 69.20 1wj3 n THR 93 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wj3 n ASP 94 N -1.16 0.30 -0.01 3.42 2.03 -1.26 -2.29 116.55 117.57 1wj3 n ASP 94 Ca -0.02 0.57 -0.15 0.00 0.52 0.00 0.00 54.79 55.71 1wj3 n ASP 94 Cb 0.07 -0.63 -0.14 0.00 -0.72 0.00 0.00 41.12 39.70 1wj3 n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wj3 n GLY 95 N 0.06 -0.77 0.00 0.27 0.00 -1.26 -5.09 105.19 98.40 1wj3 n GLY 95 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1wj3 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wj3 n GLY 96 N 1.78 -0.50 3.97 -0.02 0.00 -0.97 -4.91 105.19 104.54 1wj3 n GLY 96 Ca -0.25 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 1wj3 n GLY 96 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wj3 s ASP 97 N -4.00 3.90 0.00 1.61 1.47 -1.26 0.16 116.67 118.54 1wj3 s ASP 97 Ca 0.00 -0.11 0.00 0.00 1.18 0.00 0.00 52.55 53.62 1wj3 s ASP 97 Cb 0.00 -0.15 0.00 0.00 -0.34 0.00 0.00 42.92 42.43 1wj3 s ASP 97 CO 0.00 -2.18 0.00 0.61 0.68 0.00 0.00 175.17 174.28 1wj3 n GLY 98 N -3.18 3.21 3.75 2.12 0.00 0.22 -4.58 105.19 106.72 1wj3 n GLY 98 Ca 0.15 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1wj3 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wj3 s THR 99 N 3.93 4.60 -0.10 2.61 2.01 -1.26 -4.85 115.64 122.59 1wj3 s THR 99 Ca 0.00 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 1wj3 s THR 99 Cb 0.00 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1wj3 s THR 99 CO 0.00 0.46 0.44 -0.44 -0.69 0.00 0.00 174.62 174.39 1wj3 s SER 100 N -1.38 6.68 1.25 3.53 0.01 -1.26 -3.65 113.70 118.89 1wj3 s SER 100 Ca 0.19 0.81 -0.20 0.00 1.31 0.00 0.00 55.95 58.06 1wj3 s SER 100 Cb -0.12 -2.27 0.30 0.00 0.21 0.00 0.00 66.02 64.15 1wj3 s SER 100 CO 0.09 0.08 1.07 -0.94 0.41 0.00 0.00 173.24 173.95 1wj3 s SER 101 N 0.23 0.47 0.06 2.44 1.04 0.24 -4.89 113.70 113.30 1wj3 s SER 101 Ca 0.24 0.69 -0.30 0.00 0.48 0.00 0.00 55.95 57.06 1wj3 s SER 101 Cb -0.15 -0.96 -0.09 0.00 0.10 0.00 0.00 66.02 64.92 1wj3 s SER 101 CO 0.10 -4.40 1.81 -1.61 0.98 0.00 0.00 173.24 170.12 1wj3 s GLU 102 N -5.32 4.16 0.20 4.02 2.02 -1.26 -4.57 118.70 117.95 1wj3 s GLU 102 Ca 0.70 2.49 -0.31 0.00 0.02 0.00 0.00 54.97 57.88 1wj3 s GLU 102 Cb -0.11 -3.82 -0.15 0.00 0.10 0.00 0.00 34.13 30.15 1wj3 s GLU 102 CO 0.57 -0.86 1.09 1.04 0.02 0.00 0.00 175.26 177.12 1wj3 n GLN 103 N 6.43 1.14 -2.53 1.61 6.02 -1.26 -4.87 117.38 123.92 1wj3 n GLN 103 Ca 0.18 0.40 -0.27 0.00 -0.01 0.00 0.00 57.00 57.30 1wj3 n GLN 103 Cb 0.40 -1.84 0.01 0.00 1.02 0.00 0.00 30.24 29.83 1wj3 n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1wj3 s ILE 104 N -0.45 4.56 -0.31 5.09 1.01 0.77 -4.85 121.20 127.02 1wj3 s ILE 104 Ca 0.69 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.51 1wj3 s ILE 104 Cb -0.82 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 38.00 1wj3 s ILE 104 CO 0.54 -0.76 0.12 -0.60 0.00 0.00 0.00 174.94 174.24 1wj3 s ARG 105 N -4.83 0.59 -0.45 2.79 3.52 -1.24 -3.20 118.95 116.13 1wj3 s ARG 105 Ca 0.50 -0.99 -0.03 0.00 -0.13 0.00 0.00 55.73 55.07 1wj3 s ARG 105 Cb -0.10 -1.75 0.12 0.00 -1.56 0.00 0.00 34.95 31.66 1wj3 s ARG 105 CO 0.45 -1.02 0.26 0.42 -0.81 0.00 0.00 175.30 174.60 1wj3 s ILE 106 N 1.65 3.43 0.72 4.11 1.01 -0.83 -4.90 121.20 126.39 1wj3 s ILE 106 Ca 0.10 -2.20 -0.11 0.00 0.00 0.00 0.00 60.65 58.45 1wj3 s ILE 106 Cb -0.18 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 38.99 1wj3 s ILE 106 CO -0.26 -0.73 1.07 -2.16 0.00 0.00 0.00 174.94 172.86 1wj3 s PRO 107 N 0.94 2.77 0.18 2.79 0.04 -1.26 -1.45 135.00 139.01 1wj3 s PRO 107 Ca 0.10 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.77 1wj3 s PRO 107 Cb -0.23 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.18 1wj3 s PRO 107 CO -0.04 -1.20 0.51 0.54 0.04 0.00 0.00 177.00 176.85 1wj3 n ARG 108 N -3.19 0.00 -1.96 4.56 1.74 -1.26 -4.76 116.66 111.78 1wj3 n ARG 108 Ca 0.07 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 1wj3 n ARG 108 Cb 0.54 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 31.00 1wj3 n ARG 108 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1wj3 s ILE 109 N -0.88 3.11 0.23 0.55 -1.09 -1.26 -4.91 121.20 116.95 1wj3 s ILE 109 Ca 0.61 0.56 -0.31 0.00 -2.23 0.00 0.00 60.65 59.27 1wj3 s ILE 109 Cb -0.88 -3.36 -0.13 0.00 -1.58 0.00 0.00 42.46 36.51 1wj3 s ILE 109 CO 0.52 -0.00 1.46 1.07 -1.23 0.00 0.00 174.94 176.76 1wj3 n THR 110 N 4.70 0.81 0.04 2.92 5.66 -1.26 -4.91 114.28 122.25 1wj3 n THR 110 Ca 0.15 -0.20 -0.20 0.00 -3.05 0.00 0.00 64.05 60.76 1wj3 n THR 110 Cb 0.41 -1.54 -0.14 0.00 -1.55 0.00 0.00 70.33 67.51 1wj3 n THR 110 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1wj3 h SER 111 N 4.55 0.51 -4.61 1.09 0.87 -2.03 -3.46 113.55 110.46 1wj3 h SER 111 Ca -0.45 -0.90 -0.28 0.00 -1.23 0.00 0.00 61.79 58.92 1wj3 h SER 111 Cb 1.27 -0.16 -0.19 0.00 -0.44 0.00 0.00 62.40 62.88 1wj3 h SER 111 CO 0.78 1.37 -0.73 -0.94 -0.53 0.00 0.00 176.83 176.79 1wj3 s SER 112 N -6.96 1.13 -0.00 6.23 1.04 -1.26 -5.16 113.70 108.72 1wj3 s SER 112 Ca -0.13 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.60 1wj3 s SER 112 Cb 0.02 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1wj3 s SER 112 CO 0.84 -0.28 -0.11 -0.83 0.98 0.00 0.00 173.24 173.84 1wj3 s GLY 113 N -2.18 0.55 1.06 7.32 0.00 -1.26 -5.15 107.32 107.67 1wj3 s GLY 113 Ca -0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 44.72 44.04 1wj3 s GLY 113 CO -0.01 -0.44 1.21 2.56 0.00 0.00 0.00 173.10 176.43 1wj3 s PRO 114 N -0.36 -0.13 0.02 2.90 0.04 -1.26 -5.08 135.00 131.12 1wj3 s PRO 114 Ca 0.04 -0.20 0.07 0.00 0.04 0.00 0.00 61.00 60.95 1wj3 s PRO 114 Cb -0.05 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1wj3 s PRO 114 CO -0.00 -2.97 -0.20 0.45 0.04 0.00 0.00 177.00 174.32 1wj3 s SER 115 N -4.38 3.62 -0.08 6.66 0.15 -1.26 -5.12 113.70 113.29 1wj3 s SER 115 Ca 0.72 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.96 1wj3 s SER 115 Cb -0.07 -0.56 0.02 0.00 -1.71 0.00 0.00 66.02 63.70 1wj3 s SER 115 CO 0.54 0.28 -0.09 -0.44 1.20 0.00 0.00 173.24 174.73 1wj3 s SER 116 N -1.14 1.83 0.00 5.45 0.01 -1.26 -5.38 113.70 113.20 1wj3 s SER 116 Ca 0.13 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1wj3 s SER 116 Cb -0.10 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1wj3 s SER 116 CO 0.03 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.25