#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj3 s SER 2 N 0.00 -0.21 0.15 1.61 0.15 -1.26 -5.19 113.70 108.95 1wj3 s SER 2 Ca 0.00 0.21 -0.25 0.00 0.70 0.00 0.00 55.95 56.61 1wj3 s SER 2 Cb 0.00 0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.55 1wj3 s SER 2 CO 0.00 -0.21 0.95 -0.94 1.20 0.00 0.00 173.24 174.24 1wj3 s SER 3 N -1.18 -0.19 0.23 5.45 1.04 -1.26 -5.19 113.70 112.60 1wj3 s SER 3 Ca 0.04 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 55.89 1wj3 s SER 3 Cb -0.01 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1wj3 s SER 3 CO -0.03 -0.89 0.61 -0.83 0.98 0.00 0.00 173.24 173.07 1wj3 s GLY 4 N -2.92 -0.14 0.13 7.32 0.00 -1.26 -5.18 107.32 105.27 1wj3 s GLY 4 Ca 0.12 -0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.51 1wj3 s GLY 4 CO 0.02 -0.15 0.37 -0.56 0.00 0.00 0.00 173.10 172.78 1wj3 s SER 5 N -2.88 -0.17 0.04 1.64 0.01 -1.26 -5.16 113.70 105.91 1wj3 s SER 5 Ca 0.09 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.92 1wj3 s SER 5 Cb -0.03 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.61 1wj3 s SER 5 CO 0.00 -0.85 0.27 -0.55 0.41 0.00 0.00 173.24 172.52 1wj3 s SER 6 N -2.82 6.45 0.00 2.44 0.15 -1.26 -5.03 113.70 113.63 1wj3 s SER 6 Ca 0.04 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1wj3 s SER 6 Cb 0.02 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1wj3 s SER 6 CO -0.11 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1wj3 n GLY 7 N 0.72 -0.42 3.30 9.45 0.00 -1.26 -5.19 105.19 111.79 1wj3 n GLY 7 Ca -0.08 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 1wj3 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wj3 s THR 8 N 0.00 0.05 0.38 2.61 -1.32 -1.26 -5.16 115.64 110.94 1wj3 s THR 8 Ca 0.00 -0.45 -0.18 0.00 -1.21 0.00 0.00 61.69 59.85 1wj3 s THR 8 Cb 0.00 -0.84 -0.10 0.00 -1.51 0.00 0.00 72.50 70.05 1wj3 s THR 8 CO 0.00 -0.25 0.84 0.68 -2.21 0.00 0.00 174.62 173.68 1wj3 s VAL 9 N -1.96 4.54 0.05 5.08 -7.23 -1.26 -4.99 120.40 114.64 1wj3 s VAL 9 Ca -0.09 1.20 -0.00 0.00 -1.81 0.00 0.00 61.98 61.28 1wj3 s VAL 9 Cb -0.02 -3.61 -0.00 0.00 0.56 0.00 0.00 36.38 33.31 1wj3 s VAL 9 CO 0.01 -0.26 -0.01 -3.20 -0.31 0.00 0.00 175.10 171.33 1wj3 n ASN 10 N -0.52 0.67 -4.79 4.85 2.85 -1.26 -5.04 115.26 112.03 1wj3 n ASN 10 Ca 0.05 0.09 -0.36 0.00 -0.11 0.00 0.00 54.58 54.25 1wj3 n ASN 10 Cb 0.54 -0.21 -0.06 0.00 1.24 0.00 0.00 39.78 41.29 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 -2.02 4.09 0.42 3.44 -7.23 -1.26 -5.06 120.40 112.78 1wj3 s VAL 11 Ca -0.01 1.62 0.03 0.00 -1.81 0.00 0.00 61.98 61.82 1wj3 s VAL 11 Cb 0.00 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 1wj3 s VAL 11 CO 0.01 0.03 0.07 0.42 -0.31 0.00 0.00 175.10 175.32 1wj3 s THR 12 N -1.71 1.02 -0.10 5.32 -4.23 -1.26 -5.15 115.64 109.53 1wj3 s THR 12 Ca 0.54 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1wj3 s THR 12 Cb -0.18 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.25 1wj3 s THR 12 CO 0.23 0.00 0.08 0.42 -0.54 0.00 0.00 174.62 174.81 1wj3 s THR 13 N -3.08 -0.10 0.53 3.99 -4.23 -1.26 -5.10 115.64 106.39 1wj3 s THR 13 Ca 0.22 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 1wj3 s THR 13 Cb 0.04 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.54 1wj3 s THR 13 CO 0.12 -0.03 0.00 0.29 -0.54 0.00 0.00 174.62 174.46 1wj3 n LYS 14 N 5.29 -2.99 -4.11 3.99 5.02 -1.26 -4.99 118.16 119.11 1wj3 n LYS 14 Ca -0.05 2.38 -0.27 0.00 -2.02 0.00 0.00 58.31 58.36 1wj3 n LYS 14 Cb 0.50 -3.58 -0.04 0.00 -0.02 0.00 0.00 35.03 31.89 1wj3 n LYS 14 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wj3 n LYS 15 N -4.20 0.89 -4.08 1.97 5.02 -1.26 -5.15 118.16 111.35 1wj3 n LYS 15 Ca -0.07 -3.15 -0.08 0.00 -2.02 0.00 0.00 58.31 52.99 1wj3 n LYS 15 Cb 0.64 0.71 -0.10 0.00 -0.02 0.00 0.00 35.03 36.27 1wj3 n LYS 15 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1wj3 s THR 16 N -2.53 0.29 0.50 -0.18 -4.23 -1.26 -4.80 115.64 103.43 1wj3 s THR 16 Ca 0.07 -1.63 -0.20 0.00 -1.18 0.00 0.00 61.69 58.76 1wj3 s THR 16 Cb -0.01 -1.27 -0.08 0.00 1.34 0.00 0.00 72.50 72.49 1wj3 s THR 16 CO 0.05 -0.86 1.04 -2.16 -0.54 0.00 0.00 174.62 172.15 1wj3 s PRO 17 N -3.34 3.75 0.26 3.99 0.04 -1.26 -0.91 135.00 137.53 1wj3 s PRO 17 Ca 0.03 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1wj3 s PRO 17 Cb 0.03 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1wj3 s PRO 17 CO -0.07 -0.47 1.09 -1.25 0.04 0.00 0.00 177.00 176.34 1wj3 s PRO 18 N -3.34 4.65 -0.25 0.56 0.04 -1.26 -4.82 135.00 130.59 1wj3 s PRO 18 Ca 0.67 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1wj3 s PRO 18 Cb -0.16 -3.21 0.22 0.00 0.04 0.00 0.00 34.50 31.39 1wj3 s PRO 18 CO 0.22 0.22 1.80 0.45 0.04 0.00 0.00 177.00 179.73 1wj3 n SER 19 N 1.38 5.32 -4.13 6.66 2.88 -1.26 -4.34 113.62 120.13 1wj3 n SER 19 Ca -0.01 -2.88 -0.34 0.00 -1.33 0.00 0.00 58.87 54.32 1wj3 n SER 19 Cb 0.45 -0.92 -0.14 0.00 -0.75 0.00 0.00 64.21 62.85 1wj3 n SER 19 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1wj3 s GLN 20 N -1.51 2.32 0.58 -1.46 0.74 -1.26 -4.97 119.66 114.10 1wj3 s GLN 20 Ca 0.26 -1.34 -0.16 0.00 0.05 0.00 0.00 55.36 54.17 1wj3 s GLN 20 Cb 0.21 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.16 1wj3 s GLN 20 CO 0.01 -0.64 1.05 -1.25 -0.55 0.00 0.00 175.29 173.91 1wj3 s PRO 21 N 1.19 3.40 -0.05 1.67 0.04 -1.26 -4.76 135.00 135.22 1wj3 s PRO 21 Ca -0.05 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 1wj3 s PRO 21 Cb -0.20 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1wj3 s PRO 21 CO -0.03 -0.74 1.22 -1.25 0.04 0.00 0.00 177.00 176.24 1wj3 s PRO 22 N -4.09 4.34 0.40 0.56 0.04 -1.26 -4.95 135.00 130.04 1wj3 s PRO 22 Ca 0.63 1.70 0.04 0.00 0.04 0.00 0.00 61.00 63.40 1wj3 s PRO 22 Cb -0.15 -3.57 0.07 0.00 0.04 0.00 0.00 34.50 30.90 1wj3 s PRO 22 CO 0.36 -0.47 0.55 0.41 0.04 0.00 0.00 177.00 177.90 1wj3 n GLY 23 N 3.40 1.44 2.33 0.56 0.00 -1.26 -4.42 105.19 107.24 1wj3 n GLY 23 Ca 0.11 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.73 -4.61 -4.56 1.61 5.15 -1.26 0.96 115.26 109.82 1wj3 n ASN 24 Ca 0.10 0.31 -0.21 0.00 -0.60 0.00 0.00 54.58 54.18 1wj3 n ASN 24 Cb 0.37 -4.06 -0.06 0.00 -0.53 0.00 0.00 39.78 35.50 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 -2.56 3.23 0.21 3.44 1.01 -1.26 -4.06 120.40 120.41 1wj3 s VAL 25 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1wj3 s VAL 25 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1wj3 s VAL 25 CO 0.00 -0.50 0.13 0.68 0.00 0.00 0.00 175.10 175.41 1wj3 s VAL 26 N 12.28 4.28 0.39 2.92 -7.23 0.53 -4.95 120.40 128.62 1wj3 s VAL 26 Ca 0.81 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.71 1wj3 s VAL 26 Cb -0.10 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 1wj3 s VAL 26 CO 0.04 -0.22 0.16 -1.66 -0.31 0.00 0.00 175.10 173.11 1wj3 s TRP 27 N -1.94 1.77 0.00 2.82 1.48 -1.26 -0.49 118.94 121.32 1wj3 s TRP 27 Ca 0.31 -1.37 -0.29 0.00 -1.06 0.00 0.00 56.10 53.70 1wj3 s TRP 27 Cb -0.09 -1.06 0.10 0.00 -1.16 0.00 0.00 33.47 31.26 1wj3 s TRP 27 CO 0.23 -0.42 0.99 -0.80 -4.06 0.00 0.00 176.95 172.89 1wj3 s ASN 28 N -3.56 -0.26 -0.06 -2.66 0.01 -0.66 -4.96 114.94 102.79 1wj3 s ASN 28 Ca 0.27 -0.10 -0.02 0.00 -0.71 0.00 0.00 52.86 52.30 1wj3 s ASN 28 Cb 0.02 0.35 0.03 0.00 0.41 0.00 0.00 41.25 42.06 1wj3 s ASN 28 CO 0.17 -0.60 0.03 0.00 -1.51 0.00 0.00 177.10 175.19 1wj3 s ALA 29 N -2.99 0.47 0.01 0.60 0.00 -1.26 -2.17 121.76 116.42 1wj3 s ALA 29 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1wj3 s ALA 29 Cb -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1wj3 s ALA 29 CO -0.05 -0.46 -0.02 -0.08 0.00 0.00 0.00 175.76 175.15 1wj3 s THR 30 N 2.03 0.08 0.00 0.00 -1.32 -0.81 -5.00 115.64 110.62 1wj3 s THR 30 Ca 0.04 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 1wj3 s THR 30 Cb -0.12 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 1wj3 s THR 30 CO -0.04 -0.32 0.00 0.47 -2.21 0.00 0.00 174.62 172.52 1wj3 n ASP 31 N 2.12 0.00 -2.71 8.08 9.92 -1.26 -0.48 116.55 132.23 1wj3 n ASP 31 Ca -0.20 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.02 1wj3 n ASP 31 Cb 0.57 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.15 1wj3 n ASP 31 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1wj3 n THR 32 N 0.00 0.35 -3.88 -3.53 -2.24 -1.26 -5.11 114.28 98.62 1wj3 n THR 32 Ca 0.00 -1.73 -0.09 0.00 -2.27 0.00 0.00 64.05 59.95 1wj3 n THR 32 Cb 0.00 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.96 1.07 -0.34 -0.78 2.20 0.37 -4.02 119.74 117.29 1wj3 s LYS 33 Ca 0.18 -1.03 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 1wj3 s LYS 33 Cb 0.41 0.39 0.09 0.00 -1.51 0.00 0.00 37.83 37.21 1wj3 s LYS 33 CO -0.08 -0.39 0.05 0.08 -0.36 0.00 0.00 175.35 174.65 1wj3 s VAL 34 N -3.91 2.48 -0.40 4.02 1.01 -0.62 -1.92 120.40 121.06 1wj3 s VAL 34 Ca 0.11 -2.11 -0.27 0.00 0.00 0.00 0.00 61.98 59.71 1wj3 s VAL 34 Cb 0.03 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1wj3 s VAL 34 CO -0.05 -0.48 1.00 -0.76 0.00 0.00 0.00 175.10 174.80 1wj3 s LEU 35 N 1.00 3.91 0.30 3.92 1.43 -0.92 -1.53 118.68 126.79 1wj3 s LEU 35 Ca 0.06 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 1wj3 s LEU 35 Cb -0.20 -3.36 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1wj3 s LEU 35 CO -0.06 -0.97 0.46 -0.76 0.23 0.00 0.00 176.35 175.25 1wj3 s LEU 36 N 3.75 4.15 -0.29 1.79 1.43 0.33 -1.66 118.68 128.19 1wj3 s LEU 36 Ca 0.41 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 1wj3 s LEU 36 Cb -0.11 -3.11 0.12 0.00 0.03 0.00 0.00 46.19 43.12 1wj3 s LEU 36 CO 0.22 -0.19 0.81 0.20 0.23 0.00 0.00 176.35 177.62 1wj3 s ASN 37 N -3.98 -0.79 0.01 2.29 0.01 0.36 -3.07 114.94 109.76 1wj3 s ASN 37 Ca 0.37 1.21 -0.09 0.00 -0.71 0.00 0.00 52.86 53.65 1wj3 s ASN 37 Cb -0.09 1.48 0.01 0.00 0.41 0.00 0.00 41.25 43.05 1wj3 s ASN 37 CO 0.33 -0.19 0.18 -1.66 -1.51 0.00 0.00 177.10 174.25 1wj3 s TRP 38 N 1.78 0.01 1.15 2.20 -2.14 -0.41 0.20 118.94 121.72 1wj3 s TRP 38 Ca -0.08 -0.10 -0.19 0.00 2.66 0.00 0.00 56.10 58.39 1wj3 s TRP 38 Cb -0.06 -0.02 0.30 0.00 -3.10 0.00 0.00 33.47 30.59 1wj3 s TRP 38 CO -0.18 -0.33 0.67 0.39 -2.66 0.00 0.00 176.95 174.84 1wj3 n GLU 39 N 1.27 -4.16 -4.07 3.25 -0.58 0.27 -4.62 120.64 112.00 1wj3 n GLU 39 Ca -0.22 -1.12 -0.23 0.00 -0.42 0.00 0.00 57.16 55.17 1wj3 n GLU 39 Cb 0.56 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 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 -4.56 3.06 -0.21 3.49 -2.07 -1.26 -4.62 119.66 113.50 1wj3 s GLN 40 Ca 0.51 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 53.13 1wj3 s GLN 40 Cb -0.09 -2.68 0.01 0.00 -1.09 0.00 0.00 33.01 29.16 1wj3 s GLN 40 CO 0.43 0.43 -0.12 0.08 -1.32 0.00 0.00 175.29 174.79 1wj3 s VAL 41 N -1.99 2.63 -0.27 3.63 1.01 -1.26 -4.78 120.40 119.37 1wj3 s VAL 41 Ca 0.33 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1wj3 s VAL 41 Cb -0.09 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1wj3 s VAL 41 CO 0.26 0.42 0.02 -0.54 0.00 0.00 0.00 175.10 175.26 1wj3 s LYS 42 N 1.35 3.07 0.56 2.72 1.02 -1.26 -4.10 119.74 123.10 1wj3 s LYS 42 Ca 0.04 -0.85 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 1wj3 s LYS 42 Cb -0.14 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1wj3 s LYS 42 CO -0.08 -0.38 1.05 0.00 -0.92 0.00 0.00 175.35 175.01 1wj3 s ALA 43 N 1.45 2.80 1.09 5.17 0.00 -1.26 -5.04 121.76 125.96 1wj3 s ALA 43 Ca 0.02 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 1wj3 s ALA 43 Cb -0.17 -3.23 0.10 0.00 0.00 0.00 0.00 23.12 19.82 1wj3 s ALA 43 CO -0.01 -0.64 0.33 -1.33 0.00 0.00 0.00 175.76 174.12 1wj3 n MET 44 N -1.69 -1.92 -0.05 0.00 2.81 -1.26 -4.85 117.12 110.17 1wj3 n MET 44 Ca 0.09 -0.54 0.04 0.00 -1.81 0.00 0.00 57.70 55.49 1wj3 n MET 44 Cb 0.53 -0.53 0.19 0.00 -0.71 0.00 0.00 33.22 32.70 1wj3 n MET 44 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1wj3 n GLU 45 N -2.68 1.24 -1.14 0.03 0.28 -1.26 -3.04 120.64 114.07 1wj3 n GLU 45 Ca 0.05 -0.37 0.05 0.00 -0.16 0.00 0.00 57.16 56.72 1wj3 n GLU 45 Cb 0.19 -1.16 0.09 0.00 1.43 0.00 0.00 31.44 31.98 1wj3 n GLU 45 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1wj3 n ASN 46 N -0.27 1.24 -1.92 -1.84 5.15 -1.26 -5.07 115.26 111.28 1wj3 n ASN 46 Ca 0.07 -2.67 -0.07 0.00 -0.60 0.00 0.00 54.58 51.31 1wj3 n ASN 46 Cb 0.11 -0.38 -0.02 0.00 -0.53 0.00 0.00 39.78 38.96 1wj3 n ASN 46 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wj3 n GLU 47 N -0.10 0.26 -3.96 1.20 1.02 -1.17 -4.87 120.64 113.03 1wj3 n GLU 47 Ca 0.10 -1.32 -0.35 0.00 -0.02 0.00 0.00 57.16 55.57 1wj3 n GLU 47 Cb 0.97 1.20 -0.11 0.00 -0.02 0.00 0.00 31.44 33.48 1wj3 n GLU 47 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wj3 s SER 48 N -1.98 5.41 1.02 1.62 0.01 -0.09 -4.79 113.70 114.90 1wj3 s SER 48 Ca 0.15 -0.03 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 1wj3 s SER 48 Cb 0.00 -1.94 0.20 0.00 0.21 0.00 0.00 66.02 64.49 1wj3 s SER 48 CO 0.10 0.10 1.08 -1.83 0.41 0.00 0.00 173.24 173.10 1wj3 s GLU 49 N 0.80 0.21 -0.18 12.44 -1.05 -1.26 -4.06 118.70 125.59 1wj3 s GLU 49 Ca 0.03 1.01 -0.16 0.00 -0.15 0.00 0.00 54.97 55.71 1wj3 s GLU 49 Cb -0.14 -1.67 -0.04 0.00 -0.44 0.00 0.00 34.13 31.84 1wj3 s GLU 49 CO 0.02 -3.02 0.39 0.08 0.95 0.00 0.00 175.26 173.68 1wj3 s VAL 50 N -2.65 5.22 -0.54 1.83 1.01 -1.26 -4.41 120.40 119.60 1wj3 s VAL 50 Ca 0.67 0.71 0.11 0.00 0.00 0.00 0.00 61.98 63.47 1wj3 s VAL 50 Cb -0.22 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 1wj3 s VAL 50 CO 0.61 0.29 0.49 0.35 0.00 0.00 0.00 175.10 176.84 1wj3 n THR 51 N 4.07 0.00 -3.36 3.92 -2.24 -0.69 -5.02 114.28 110.96 1wj3 n THR 51 Ca -0.09 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1wj3 n THR 51 Cb 0.51 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.27 1.23 3.39 3.38 0.00 -1.22 -4.82 105.19 108.43 1wj3 n GLY 52 Ca 0.02 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.65 -0.23 -0.18 1.61 1.51 -0.75 -0.12 117.35 114.54 1wj3 s TYR 53 Ca 0.00 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1wj3 s TYR 53 Cb 0.00 0.34 0.02 0.00 -0.11 0.00 0.00 41.96 42.22 1wj3 s TYR 53 CO 0.00 -0.79 -0.19 0.15 -1.11 0.00 0.00 175.55 173.62 1wj3 s LYS 54 N -3.82 2.87 -0.61 -0.62 1.02 0.40 -2.70 119.74 116.28 1wj3 s LYS 54 Ca 0.04 -0.86 -0.21 0.00 0.02 0.00 0.00 55.97 54.97 1wj3 s LYS 54 Cb 0.01 -2.56 0.08 0.00 -0.52 0.00 0.00 37.83 34.83 1wj3 s LYS 54 CO -0.10 -0.24 0.82 0.08 -0.92 0.00 0.00 175.35 174.99 1wj3 s VAL 55 N 1.29 4.59 -0.64 3.17 1.01 -0.94 -0.23 120.40 128.65 1wj3 s VAL 55 Ca 0.04 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 1wj3 s VAL 55 Cb -0.14 -4.56 0.06 0.00 0.00 0.00 0.00 36.38 31.74 1wj3 s VAL 55 CO -0.12 -1.24 0.99 -0.36 0.00 0.00 0.00 175.10 174.37 1wj3 s PHE 56 N 3.33 2.67 -0.10 5.22 0.40 0.53 -2.52 117.98 127.51 1wj3 s PHE 56 Ca 0.17 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.14 1wj3 s PHE 56 Cb -0.20 -4.26 -0.03 0.00 0.51 0.00 0.00 43.02 39.04 1wj3 s PHE 56 CO 0.09 -1.61 -0.06 1.52 0.70 0.00 0.00 175.22 175.85 1wj3 s TYR 57 N 4.20 2.95 -0.13 0.36 -0.85 -1.23 0.22 117.35 122.88 1wj3 s TYR 57 Ca 0.26 -0.13 -0.23 0.00 -0.52 0.00 0.00 57.07 56.45 1wj3 s TYR 57 Cb -0.15 -1.79 0.06 0.00 0.38 0.00 0.00 41.96 40.45 1wj3 s TYR 57 CO 0.13 0.18 0.57 -0.98 -1.52 0.00 0.00 175.55 173.93 1wj3 s ARG 58 N -0.37 0.80 1.28 -3.49 1.70 0.71 -2.83 118.95 116.75 1wj3 s ARG 58 Ca 0.05 0.48 -0.20 0.00 -0.47 0.00 0.00 55.73 55.59 1wj3 s ARG 58 Cb -0.12 0.38 0.32 0.00 -0.57 0.00 0.00 34.95 34.95 1wj3 s ARG 58 CO 0.02 -0.17 1.04 0.99 -1.08 0.00 0.00 175.30 176.10 1wj3 s THR 59 N -0.42 1.47 -1.28 4.99 2.01 -1.26 0.19 115.64 121.34 1wj3 s THR 59 Ca -0.06 0.00 0.15 0.00 0.31 0.00 0.00 61.69 62.09 1wj3 s THR 59 Cb -0.03 -2.33 0.21 0.00 0.01 0.00 0.00 72.50 70.36 1wj3 s THR 59 CO 0.04 0.00 1.43 -1.54 -0.69 0.00 0.00 174.62 173.86 1wj3 n SER 60 N -5.08 0.00 -3.26 3.53 3.41 0.34 -4.20 113.62 108.35 1wj3 n SER 60 Ca 0.13 0.22 -0.05 0.00 -0.26 0.00 0.00 58.87 58.91 1wj3 n SER 60 Cb 0.59 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 1wj3 n SER 60 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wj3 s SER 61 N -2.72 -0.27 0.00 4.04 0.01 -1.26 -4.94 113.70 108.56 1wj3 s SER 61 Ca 0.12 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1wj3 s SER 61 Cb 0.10 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.71 1wj3 s SER 61 CO 0.24 -0.31 0.00 1.67 0.41 0.00 0.00 173.24 175.25 1wj3 n GLN 62 N 5.11 0.00 0.00 12.44 0.00 -1.26 -5.06 117.38 128.61 1wj3 n GLN 62 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 1wj3 n GLN 62 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 30.24 30.70 1wj3 n GLN 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1wj3 n ASN 63 N -1.92 0.00 -4.56 1.69 5.15 -1.26 -4.84 115.26 109.51 1wj3 n ASN 63 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 1wj3 n ASN 63 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1wj3 n ASN 63 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1wj3 s ASN 64 N 0.00 5.98 0.37 1.20 0.01 -1.26 -4.98 114.94 116.26 1wj3 s ASN 64 Ca 0.00 0.11 -0.11 0.00 -0.71 0.00 0.00 52.86 52.15 1wj3 s ASN 64 Cb 0.00 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 1wj3 s ASN 64 CO 0.00 -1.86 0.74 0.54 -1.51 0.00 0.00 177.10 175.01 1wj3 s VAL 65 N 6.52 4.77 0.63 1.60 0.11 -1.26 -4.98 120.40 127.79 1wj3 s VAL 65 Ca 0.51 0.68 0.05 0.00 -2.93 0.00 0.00 61.98 60.29 1wj3 s VAL 65 Cb -0.10 -3.69 0.10 0.00 -1.53 0.00 0.00 36.38 31.16 1wj3 s VAL 65 CO 0.22 -0.40 0.87 -1.10 -3.33 0.00 0.00 175.10 171.36 1wj3 s GLN 66 N -3.54 2.05 -0.01 1.54 -0.21 -1.13 -4.97 119.66 113.39 1wj3 s GLN 66 Ca 0.52 -1.43 0.01 0.00 0.02 0.00 0.00 55.36 54.48 1wj3 s GLN 66 Cb -0.10 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 31.39 1wj3 s GLN 66 CO 0.27 -1.10 -0.03 0.08 -2.12 0.00 0.00 175.29 172.40 1wj3 s VAL 67 N -2.86 0.28 -0.12 1.09 1.01 -1.26 -3.47 120.40 115.07 1wj3 s VAL 67 Ca 0.64 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1wj3 s VAL 67 Cb -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1wj3 s VAL 67 CO 0.41 0.11 -0.22 -0.22 0.00 0.00 0.00 175.10 175.19 1wj3 s LEU 68 N 0.34 2.18 -0.14 3.92 0.20 -1.05 -4.91 118.68 119.22 1wj3 s LEU 68 Ca -0.03 -0.55 -0.29 0.00 0.69 0.00 0.00 54.13 53.95 1wj3 s LEU 68 Cb -0.06 -1.45 -0.01 0.00 -0.43 0.00 0.00 46.19 44.24 1wj3 s LEU 68 CO -0.01 0.13 1.02 0.20 -0.29 0.00 0.00 176.35 177.41 1wj3 s ASN 69 N 0.52 7.20 -0.04 3.68 -0.87 -1.26 -2.20 114.94 121.97 1wj3 s ASN 69 Ca -0.14 1.49 -0.01 0.00 -1.57 0.00 0.00 52.86 52.64 1wj3 s ASN 69 Cb -0.17 -2.55 0.03 0.00 -0.02 0.00 0.00 41.25 38.54 1wj3 s ASN 69 CO 0.05 -0.52 0.02 0.28 -2.57 0.00 0.00 177.10 174.36 1wj3 s THR 70 N 2.38 0.06 -0.54 1.60 -1.32 -1.10 -5.02 115.64 111.71 1wj3 s THR 70 Ca 0.47 0.22 -0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1wj3 s THR 70 Cb -0.17 -0.22 0.46 0.00 -1.51 0.00 0.00 72.50 71.05 1wj3 s THR 70 CO 0.14 0.16 1.97 -0.46 -2.21 0.00 0.00 174.62 174.22 1wj3 n ASN 71 N 4.60 6.37 -1.63 8.08 0.23 -1.26 -1.81 115.26 129.83 1wj3 n ASN 71 Ca -0.18 -3.58 -0.05 0.00 -0.53 0.00 0.00 54.58 50.24 1wj3 n ASN 71 Cb 0.50 -0.94 -0.01 0.00 -2.08 0.00 0.00 39.78 37.25 1wj3 n ASN 71 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1wj3 n LYS 72 N -0.75 0.21 -0.18 -3.83 0.00 -1.26 -4.96 118.16 107.38 1wj3 n LYS 72 Ca 0.55 -0.88 0.12 0.00 -0.00 0.00 0.00 58.31 58.10 1wj3 n LYS 72 Cb 0.91 0.84 0.21 0.00 -0.00 0.00 0.00 35.03 36.98 1wj3 n LYS 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1wj3 n THR 73 N -0.18 0.48 -4.37 0.58 -2.24 -1.26 -4.60 114.28 102.69 1wj3 n THR 73 Ca 0.00 -0.74 -0.17 0.00 -2.27 0.00 0.00 64.05 60.87 1wj3 n THR 73 Cb 0.18 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.39 1wj3 n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wj3 n SER 74 N 1.50 1.89 -3.60 3.42 3.41 -1.26 -1.29 113.62 117.69 1wj3 n SER 74 Ca 0.19 -2.31 -0.01 0.00 -0.26 0.00 0.00 58.87 56.48 1wj3 n SER 74 Cb 0.61 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 1wj3 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wj3 s ALA 75 N -2.60 -1.88 -0.15 7.33 0.00 -1.17 -4.90 121.76 118.40 1wj3 s ALA 75 Ca 0.07 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1wj3 s ALA 75 Cb 0.00 0.64 0.07 0.00 0.00 0.00 0.00 23.12 23.84 1wj3 s ALA 75 CO 0.05 -1.07 0.28 -1.21 0.00 0.00 0.00 175.76 173.82 1wj3 s GLU 76 N -2.56 0.18 0.45 0.00 2.02 -1.26 -0.51 118.70 117.02 1wj3 s GLU 76 Ca 0.18 0.73 0.04 0.00 0.02 0.00 0.00 54.97 55.95 1wj3 s GLU 76 Cb -0.00 -0.10 0.04 0.00 0.10 0.00 0.00 34.13 34.17 1wj3 s GLU 76 CO 0.01 -0.33 0.36 1.28 0.02 0.00 0.00 175.26 176.60 1wj3 n LEU 77 N 5.35 0.00 -4.92 1.80 7.99 -0.58 -4.91 117.00 121.73 1wj3 n LEU 77 Ca -0.06 -2.34 -0.28 0.00 -0.01 0.00 0.00 56.01 53.32 1wj3 n LEU 77 Cb 0.50 -0.05 -0.03 0.00 -0.11 0.00 0.00 43.42 43.72 1wj3 n LEU 77 CO 0.03 -0.54 -0.02 0.68 -1.51 0.00 0.00 177.39 176.03 1wj3 s VAL 78 N -2.23 5.25 0.34 4.08 -7.23 -1.26 -1.59 120.40 117.76 1wj3 s VAL 78 Ca 0.27 -0.36 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 1wj3 s VAL 78 Cb -0.02 -3.70 -0.11 0.00 0.56 0.00 0.00 36.38 33.10 1wj3 s VAL 78 CO 0.17 -0.08 1.52 0.00 -0.31 0.00 0.00 175.10 176.40 1wj3 n LEU 79 N -0.38 4.49 -4.68 1.32 -0.00 -1.26 -4.70 117.00 111.79 1wj3 n LEU 79 Ca -0.05 1.19 -0.42 0.00 -0.00 0.00 0.00 56.01 56.73 1wj3 n LEU 79 Cb 0.53 -1.60 -0.03 0.00 -0.00 0.00 0.00 43.42 42.33 1wj3 n LEU 79 CO 0.49 0.10 1.00 -2.16 -0.00 0.00 0.00 177.39 176.82 1wj3 s PRO 80 N -1.35 4.32 0.00 1.47 0.04 -1.26 -4.95 135.00 133.27 1wj3 s PRO 80 Ca 0.58 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 63.15 1wj3 s PRO 80 Cb -0.49 -3.61 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 1wj3 s PRO 80 CO 0.57 -0.52 0.87 0.82 0.04 0.00 0.00 177.00 178.78 1wj3 h ILE 81 N 5.12 0.00 -4.25 0.56 5.03 -1.99 -3.41 117.51 118.57 1wj3 h ILE 81 Ca -0.33 -0.25 -0.14 0.00 -0.12 0.00 0.00 64.86 64.02 1wj3 h ILE 81 Cb 1.15 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.79 1wj3 h ILE 81 CO 0.90 0.00 -0.61 -0.54 -0.68 0.00 0.00 178.15 177.23 1wj3 s LYS 82 N -3.67 0.81 0.41 2.37 1.02 -1.26 -4.92 119.74 114.51 1wj3 s LYS 82 Ca -0.09 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1wj3 s LYS 82 Cb 0.01 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1wj3 s LYS 82 CO 0.26 -0.22 0.00 0.39 -0.92 0.00 0.00 175.35 174.86 1wj3 n GLU 83 N -0.02 -3.34 -0.67 1.68 1.02 -1.26 -4.73 120.64 113.32 1wj3 n GLU 83 Ca -0.10 2.52 -0.32 0.00 -0.02 0.00 0.00 57.16 59.24 1wj3 n GLU 83 Cb 0.62 -2.93 0.18 0.00 -0.02 0.00 0.00 31.44 29.29 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 -1.36 -2.17 -4.06 1.62 9.92 -1.26 -4.39 116.55 114.85 1wj3 n ASP 84 Ca 0.00 -0.03 -0.31 0.00 -0.53 0.00 0.00 54.79 53.92 1wj3 n ASP 84 Cb 0.11 -1.06 -0.16 0.00 -0.64 0.00 0.00 41.12 39.37 1wj3 n ASP 84 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1wj3 s TYR 85 N -2.30 2.29 -0.37 1.24 5.04 0.21 0.13 117.35 123.59 1wj3 s TYR 85 Ca 0.58 -1.26 -0.13 0.00 -2.44 0.00 0.00 57.07 53.82 1wj3 s TYR 85 Cb -0.16 -1.64 0.01 0.00 0.35 0.00 0.00 41.96 40.51 1wj3 s TYR 85 CO 0.66 -0.66 0.26 0.42 -1.34 0.00 0.00 175.55 174.89 1wj3 s ILE 86 N 1.30 5.14 -0.06 3.14 -1.09 0.50 -1.54 121.20 128.59 1wj3 s ILE 86 Ca 0.02 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 1wj3 s ILE 86 Cb -0.13 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 1wj3 s ILE 86 CO -0.09 -0.16 -0.03 -0.63 -1.23 0.00 0.00 174.94 172.80 1wj3 s ILE 87 N 1.68 3.99 -0.07 2.92 1.01 -1.19 -0.20 121.20 129.34 1wj3 s ILE 87 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1wj3 s ILE 87 Cb -0.18 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.64 1wj3 s ILE 87 CO 0.09 0.56 -0.00 -1.61 0.00 0.00 0.00 174.94 173.98 1wj3 s GLU 88 N -0.97 0.62 -0.01 2.79 2.02 0.60 0.31 118.70 124.07 1wj3 s GLU 88 Ca 0.14 0.08 -0.18 0.00 0.02 0.00 0.00 54.97 55.02 1wj3 s GLU 88 Cb -0.11 -0.93 -0.05 0.00 0.10 0.00 0.00 34.13 33.14 1wj3 s GLU 88 CO 0.03 -0.26 0.51 0.08 0.02 0.00 0.00 175.26 175.64 1wj3 s VAL 89 N 1.78 4.97 0.03 2.63 1.01 -1.26 0.20 120.40 129.76 1wj3 s VAL 89 Ca 0.02 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1wj3 s VAL 89 Cb -0.13 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1wj3 s VAL 89 CO -0.04 0.47 -0.10 -0.54 0.00 0.00 0.00 175.10 174.89 1wj3 s LYS 90 N -0.43 0.64 -0.14 2.72 1.02 0.67 -0.43 119.74 123.79 1wj3 s LYS 90 Ca 0.27 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.54 1wj3 s LYS 90 Cb -0.17 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 1wj3 s LYS 90 CO 0.15 0.12 0.08 0.00 -0.92 0.00 0.00 175.35 174.79 1wj3 s ALA 91 N -0.96 3.57 0.02 5.17 0.00 -1.25 0.15 121.76 128.47 1wj3 s ALA 91 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1wj3 s ALA 91 Cb -0.08 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1wj3 s ALA 91 CO 0.01 0.41 0.09 0.95 0.00 0.00 0.00 175.76 177.21 1wj3 s THR 92 N -0.35 4.74 0.13 0.00 -4.23 0.83 0.02 115.64 116.77 1wj3 s THR 92 Ca 0.10 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1wj3 s THR 92 Cb -0.12 -3.20 -0.01 0.00 1.34 0.00 0.00 72.50 70.51 1wj3 s THR 92 CO 0.02 0.28 0.10 0.35 -0.54 0.00 0.00 174.62 174.82 1wj3 n THR 93 N 0.95 0.00 0.41 3.99 -2.24 0.28 -1.70 114.28 115.96 1wj3 n THR 93 Ca -0.11 -0.91 0.12 0.00 -2.27 0.00 0.00 64.05 60.87 1wj3 n THR 93 Cb 0.52 0.43 0.48 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.39 0.62 -0.06 3.42 -0.08 -1.26 -2.47 116.55 114.33 1wj3 n ASP 94 Ca 0.02 0.65 -0.14 0.00 -1.51 0.00 0.00 54.79 53.81 1wj3 n ASP 94 Cb 0.23 -0.78 -0.14 0.00 2.34 0.00 0.00 41.12 42.76 1wj3 n ASP 94 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wj3 n GLY 95 N 0.04 -0.73 0.00 0.27 0.00 -1.26 -5.03 105.19 98.47 1wj3 n GLY 95 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.88 -0.01 3.79 -0.02 0.00 -1.03 -4.99 105.19 104.81 1wj3 n GLY 96 Ca -0.32 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1wj3 n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wj3 s ASP 97 N -4.00 2.98 0.00 1.61 1.01 -1.26 0.99 116.67 118.00 1wj3 s ASP 97 Ca 0.00 0.71 0.00 0.00 0.71 0.00 0.00 52.55 53.97 1wj3 s ASP 97 Cb 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.85 1wj3 s ASP 97 CO 0.00 -2.86 0.00 0.61 0.21 0.00 0.00 175.17 173.13 1wj3 n GLY 98 N -2.45 3.22 3.92 0.21 0.00 0.10 -4.75 105.19 105.44 1wj3 n GLY 98 Ca 0.10 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 3.86 5.28 -0.36 2.61 2.01 -1.26 -4.85 115.64 122.93 1wj3 s THR 99 Ca 0.00 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.60 1wj3 s THR 99 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1wj3 s THR 99 CO 0.00 0.02 0.23 -0.94 -0.69 0.00 0.00 174.62 173.24 1wj3 s SER 100 N -2.69 5.88 1.01 3.53 1.04 -1.26 -3.77 113.70 117.45 1wj3 s SER 100 Ca 0.38 -0.70 -0.14 0.00 0.48 0.00 0.00 55.95 55.96 1wj3 s SER 100 Cb -0.12 -2.08 0.15 0.00 0.10 0.00 0.00 66.02 64.06 1wj3 s SER 100 CO 0.27 -0.31 0.21 -1.54 0.98 0.00 0.00 173.24 172.85 1wj3 n SER 101 N 5.06 -2.91 -4.68 7.02 3.41 0.43 -4.77 113.62 117.18 1wj3 n SER 101 Ca -0.12 -0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 57.73 1wj3 n SER 101 Cb 0.48 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1wj3 n SER 101 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wj3 s GLU 102 N -3.38 4.19 0.21 4.33 8.01 -1.26 -4.58 118.70 126.21 1wj3 s GLU 102 Ca 0.38 2.32 -0.31 0.00 0.01 0.00 0.00 54.97 57.37 1wj3 s GLU 102 Cb -0.06 -3.79 -0.15 0.00 -4.31 0.00 0.00 34.13 25.82 1wj3 s GLU 102 CO 0.38 -0.80 1.08 0.00 0.01 0.00 0.00 175.26 175.94 1wj3 n GLN 103 N 6.33 1.18 -2.86 1.61 10.64 -1.26 -4.84 117.38 128.18 1wj3 n GLN 103 Ca 0.17 0.42 -0.26 0.00 -1.83 0.00 0.00 57.00 55.49 1wj3 n GLN 103 Cb 0.41 -1.85 -0.00 0.00 -0.86 0.00 0.00 30.24 27.94 1wj3 n GLN 103 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1wj3 s ILE 104 N -0.51 4.97 -0.34 -0.39 1.01 0.15 -4.87 121.20 121.21 1wj3 s ILE 104 Ca 0.68 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1wj3 s ILE 104 Cb -0.80 -3.86 0.11 0.00 0.01 0.00 0.00 42.46 37.91 1wj3 s ILE 104 CO 0.55 -0.76 0.13 -0.60 0.00 0.00 0.00 174.94 174.26 1wj3 s ARG 105 N -4.60 0.88 -0.44 2.79 3.52 -1.25 -3.14 118.95 116.71 1wj3 s ARG 105 Ca 0.45 -1.34 -0.04 0.00 -0.13 0.00 0.00 55.73 54.67 1wj3 s ARG 105 Cb -0.10 -2.12 0.12 0.00 -1.56 0.00 0.00 34.95 31.29 1wj3 s ARG 105 CO 0.42 -1.03 0.26 0.42 -0.81 0.00 0.00 175.30 174.56 1wj3 s ILE 106 N 1.27 3.55 0.85 4.11 1.01 -0.59 -4.92 121.20 126.49 1wj3 s ILE 106 Ca 0.12 -2.06 -0.12 0.00 0.00 0.00 0.00 60.65 58.59 1wj3 s ILE 106 Cb -0.19 -3.40 0.10 0.00 0.01 0.00 0.00 42.46 38.98 1wj3 s ILE 106 CO -0.18 -0.73 1.12 -2.16 0.00 0.00 0.00 174.94 172.99 1wj3 s PRO 107 N 1.10 1.64 0.25 2.79 0.04 -1.26 -0.62 135.00 138.94 1wj3 s PRO 107 Ca 0.08 0.47 -0.27 0.00 0.04 0.00 0.00 61.00 61.32 1wj3 s PRO 107 Cb -0.23 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 1wj3 s PRO 107 CO -0.03 -1.89 0.55 0.54 0.04 0.00 0.00 177.00 176.20 1wj3 n ARG 108 N -3.59 0.24 -4.33 4.56 1.74 -1.26 -4.90 116.66 109.12 1wj3 n ARG 108 Ca 0.07 0.09 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 1wj3 n ARG 108 Cb 0.58 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.75 1wj3 n ARG 108 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1wj3 s ILE 109 N -1.12 4.26 0.00 0.55 2.07 -1.26 -5.02 121.20 120.68 1wj3 s ILE 109 Ca 0.63 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 1wj3 s ILE 109 Cb -0.84 -2.83 0.00 0.00 0.13 0.00 0.00 42.46 38.92 1wj3 s ILE 109 CO 0.58 0.55 0.00 0.35 -1.91 0.00 0.00 174.94 174.51 1wj3 n THR 110 N 2.71 0.00 -3.70 4.00 -2.24 -1.26 -4.84 114.28 108.95 1wj3 n THR 110 Ca -0.18 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 1wj3 n THR 110 Cb 0.53 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1wj3 n THR 110 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wj3 n SER 111 N -2.64 -5.33 0.02 3.42 7.64 -1.26 -4.92 113.62 110.55 1wj3 n SER 111 Ca 0.00 -0.97 -0.01 0.00 1.01 0.00 0.00 58.87 58.90 1wj3 n SER 111 Cb 0.00 -3.05 -0.00 0.00 -1.01 0.00 0.00 64.21 60.14 1wj3 n SER 111 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wj3 n SER 112 N -2.50 0.86 0.00 6.43 7.64 -1.26 -5.15 113.62 119.63 1wj3 n SER 112 Ca -0.12 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wj3 n SER 112 Cb 0.59 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1wj3 n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wj3 n GLY 113 N 3.15 4.34 0.17 0.23 0.00 -1.26 -5.04 105.19 106.78 1wj3 n GLY 113 Ca -0.02 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1wj3 n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj3 h PRO 114 N 0.00 0.48 -4.61 1.61 0.13 -2.05 -3.49 132.00 124.06 1wj3 h PRO 114 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wj3 h PRO 114 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1wj3 h PRO 114 CO 0.00 1.11 -0.89 0.45 -0.23 0.00 0.00 178.00 178.43 1wj3 n SER 115 N -3.80 -8.59 -3.30 1.44 2.88 -1.26 -5.06 113.62 95.93 1wj3 n SER 115 Ca -0.06 1.73 0.03 0.00 -1.33 0.00 0.00 58.87 59.23 1wj3 n SER 115 Cb 0.80 -4.87 -0.02 0.00 -0.75 0.00 0.00 64.21 59.37 1wj3 n SER 115 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wj3 s SER 116 N -0.53 -1.32 0.00 -3.46 0.01 -1.26 -5.23 113.70 101.91 1wj3 s SER 116 Ca 0.00 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1wj3 s SER 116 Cb 0.00 2.21 0.00 0.00 0.21 0.00 0.00 66.02 68.44 1wj3 s SER 116 CO 0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01