#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wz0 s SER 2 N 0.00 -0.37 0.00 1.61 1.04 -1.26 -5.18 113.70 109.54 1wz0 s SER 2 Ca 0.00 0.69 -0.16 0.00 0.48 0.00 0.00 55.95 56.96 1wz0 s SER 2 Cb 0.00 0.79 0.03 0.00 0.10 0.00 0.00 66.02 66.93 1wz0 s SER 2 CO 0.00 -0.12 0.34 -0.44 0.98 0.00 0.00 173.24 174.00 1wz0 s SER 3 N 0.39 -0.21 0.00 7.02 0.01 -1.26 -5.12 113.70 114.53 1wz0 s SER 3 Ca 0.02 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1wz0 s SER 3 Cb -0.05 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1wz0 s SER 3 CO -0.10 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1wz0 n GLY 4 N 1.05 1.68 2.80 3.44 0.00 -1.26 -5.17 105.19 107.72 1wz0 n GLY 4 Ca -0.21 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1wz0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wz0 s SER 5 N 0.00 0.44 0.05 1.61 0.01 -1.26 -5.03 113.70 109.51 1wz0 s SER 5 Ca 0.00 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1wz0 s SER 5 Cb 0.00 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1wz0 s SER 5 CO 0.00 -0.12 0.00 -1.20 0.41 0.00 0.00 173.24 172.33 1wz0 n SER 6 N 4.25 0.46 -2.66 2.44 7.64 -1.26 -5.09 113.62 119.40 1wz0 n SER 6 Ca -0.25 0.07 -0.05 0.00 1.01 0.00 0.00 58.87 59.65 1wz0 n SER 6 Cb 0.50 -0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.59 1wz0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wz0 n GLY 7 N 3.15 -0.79 3.58 0.23 0.00 -1.26 -4.87 105.19 105.23 1wz0 n GLY 7 Ca 0.00 0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 1wz0 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wz0 s MET 8 N -3.43 2.76 -0.12 1.61 -2.45 -1.26 -4.84 119.30 111.57 1wz0 s MET 8 Ca 0.14 1.53 -0.08 0.00 -1.25 0.00 0.00 55.69 56.02 1wz0 s MET 8 Cb -0.02 -4.41 -0.07 0.00 1.25 0.00 0.00 34.83 31.58 1wz0 s MET 8 CO 0.53 -2.53 0.17 0.00 1.05 0.00 0.00 175.02 174.24 1wz0 h ALA 9 N 16.15 0.01 -5.89 4.11 0.00 -2.07 -3.48 119.26 128.09 1wz0 h ALA 9 Ca -0.32 -0.21 -0.40 0.00 0.00 0.00 0.00 54.91 53.98 1wz0 h ALA 9 Cb 1.23 0.07 0.12 0.00 0.00 0.00 0.00 17.79 19.21 1wz0 h ALA 9 CO 1.07 0.07 -0.70 -3.47 0.00 0.00 0.00 179.25 176.23 1wz0 n ASP 10 N -4.71 -5.85 -0.13 0.00 2.03 -1.26 -4.91 116.55 101.72 1wz0 n ASP 10 Ca -0.04 -0.57 -0.21 0.00 0.52 0.00 0.00 54.79 54.49 1wz0 n ASP 10 Cb 0.16 -4.91 -0.12 0.00 -0.72 0.00 0.00 41.12 35.53 1wz0 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wz0 n GLU 11 N -4.91 0.64 -0.36 -0.67 1.02 -1.26 -4.57 120.64 110.54 1wz0 n GLU 11 Ca -0.01 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.22 1wz0 n GLU 11 Cb 0.57 -1.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.38 1wz0 n GLU 11 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wz0 n LYS 12 N -3.48 -0.38 -2.09 3.49 4.76 -1.26 -3.98 118.16 115.23 1wz0 n LYS 12 Ca -0.47 1.29 -0.43 0.00 -2.87 0.00 0.00 58.31 55.83 1wz0 n LYS 12 Cb 0.97 -1.90 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 1wz0 n LYS 12 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1wz0 s PRO 13 N -5.42 3.39 -0.29 1.97 0.04 -1.26 -4.93 135.00 128.50 1wz0 s PRO 13 Ca -0.10 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 61.99 1wz0 s PRO 13 Cb 0.09 -4.16 0.15 0.00 0.04 0.00 0.00 34.50 30.63 1wz0 s PRO 13 CO 0.53 -1.79 1.17 -1.59 0.04 0.00 0.00 177.00 175.36 1wz0 s LYS 14 N 5.49 0.33 -0.18 4.56 -2.85 -1.26 -5.07 119.74 120.77 1wz0 s LYS 14 Ca 0.75 0.41 -0.28 0.00 -1.00 0.00 0.00 55.97 55.85 1wz0 s LYS 14 Cb -0.20 0.15 0.09 0.00 -2.06 0.00 0.00 37.83 35.81 1wz0 s LYS 14 CO 0.33 -0.04 0.84 -2.00 0.10 0.00 0.00 175.35 174.58 1wz0 s GLU 15 N 0.30 0.77 -0.16 1.78 2.56 -1.26 -5.07 118.70 117.63 1wz0 s GLU 15 Ca 0.03 0.50 -0.01 0.00 0.00 0.00 0.00 54.97 55.48 1wz0 s GLU 15 Cb -0.05 0.37 0.00 0.00 2.00 0.00 0.00 34.13 36.46 1wz0 s GLU 15 CO -0.10 -0.18 0.02 0.41 -0.56 0.00 0.00 175.26 174.85 1wz0 n GLY 16 N 1.61 -2.43 0.16 -1.50 0.00 -1.26 -4.87 105.19 96.90 1wz0 n GLY 16 Ca -0.14 0.38 0.01 0.00 0.00 0.00 0.00 46.02 46.27 1wz0 n GLY 16 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wz0 h VAL 17 N 3.53 1.31 -2.34 1.61 3.04 -2.06 -3.45 116.25 117.88 1wz0 h VAL 17 Ca -0.05 -1.80 -0.08 0.00 -1.01 0.00 0.00 66.70 63.75 1wz0 h VAL 17 Cb 0.51 1.99 -0.19 0.00 -2.01 0.00 0.00 31.29 31.58 1wz0 h VAL 17 CO 0.05 0.51 0.04 -1.59 -1.01 0.00 0.00 177.57 175.56 1wz0 s LYS 18 N -3.76 0.94 -0.27 4.17 -2.85 -1.26 -5.07 119.74 111.63 1wz0 s LYS 18 Ca -0.01 0.10 0.17 0.00 -1.00 0.00 0.00 55.97 55.23 1wz0 s LYS 18 Cb 0.13 0.44 0.49 0.00 -2.06 0.00 0.00 37.83 36.82 1wz0 s LYS 18 CO 0.74 -0.28 1.14 -2.37 0.10 0.00 0.00 175.35 174.67 1wz0 n THR 19 N 1.01 1.77 0.34 3.79 5.66 -1.26 -4.90 114.28 120.68 1wz0 n THR 19 Ca -0.20 -3.44 -0.14 0.00 -3.05 0.00 0.00 64.05 57.22 1wz0 n THR 19 Cb 0.57 0.33 -0.06 0.00 -1.55 0.00 0.00 70.33 69.61 1wz0 n THR 19 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1wz0 h GLU 20 N 2.44 -0.85 -4.86 1.09 3.07 -2.02 -3.47 114.58 109.98 1wz0 h GLU 20 Ca 0.06 0.06 -0.43 0.00 -0.50 0.00 0.00 59.36 58.55 1wz0 h GLU 20 Cb 1.37 0.19 -0.14 0.00 -0.84 0.00 0.00 28.75 29.34 1wz0 h GLU 20 CO 0.41 -0.57 -0.52 1.21 -1.40 0.00 0.00 179.01 178.15 1wz0 s ASN 21 N -4.12 1.47 -0.62 1.42 3.84 -1.26 -5.11 114.94 110.56 1wz0 s ASN 21 Ca -0.13 -1.68 0.05 0.00 0.21 0.00 0.00 52.86 51.32 1wz0 s ASN 21 Cb 0.01 0.51 0.20 0.00 -0.55 0.00 0.00 41.25 41.43 1wz0 s ASN 21 CO 0.39 -1.00 0.57 -0.46 -2.79 0.00 0.00 177.10 173.80 1wz0 n ASN 22 N -1.27 2.63 -1.11 -4.21 0.23 -1.26 -4.87 115.26 105.39 1wz0 n ASN 22 Ca 0.05 -3.15 -0.04 0.00 -0.53 0.00 0.00 54.58 50.91 1wz0 n ASN 22 Cb 0.63 -0.69 0.18 0.00 -2.08 0.00 0.00 39.78 37.82 1wz0 n ASN 22 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1wz0 n ASP 23 N 1.63 2.58 -4.85 0.53 -0.08 -1.26 -5.02 116.55 110.08 1wz0 n ASP 23 Ca 0.25 -3.83 -0.26 0.00 -1.51 0.00 0.00 54.79 49.44 1wz0 n ASP 23 Cb 0.40 -0.59 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 1wz0 n ASP 23 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1wz0 s HIS 24 N -3.30 3.26 0.19 -0.67 3.76 -1.26 -4.38 115.29 112.88 1wz0 s HIS 24 Ca 0.44 0.02 0.09 0.00 -0.15 0.00 0.00 55.06 55.45 1wz0 s HIS 24 Cb 0.40 -1.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 1wz0 s HIS 24 CO -0.02 0.51 -0.07 0.96 -0.85 0.00 0.00 174.74 175.28 1wz0 s ILE 25 N -1.79 3.32 -0.10 0.60 -4.36 -0.96 -4.95 121.20 112.96 1wz0 s ILE 25 Ca 0.32 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 59.10 1wz0 s ILE 25 Cb -0.10 -2.66 -0.01 0.00 1.25 0.00 0.00 42.46 40.94 1wz0 s ILE 25 CO 0.25 -0.13 -0.18 0.20 0.24 0.00 0.00 174.94 175.32 1wz0 s ASN 26 N -2.93 3.64 -0.09 4.36 0.01 -1.26 -2.48 114.94 116.18 1wz0 s ASN 26 Ca 0.26 -0.40 0.04 0.00 -0.71 0.00 0.00 52.86 52.05 1wz0 s ASN 26 Cb -0.09 -1.36 -0.00 0.00 0.41 0.00 0.00 41.25 40.21 1wz0 s ASN 26 CO 0.16 0.20 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.95 1wz0 s LEU 27 N 0.14 2.11 -0.33 0.60 1.43 -0.06 -0.59 118.68 121.99 1wz0 s LEU 27 Ca -0.09 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.29 1wz0 s LEU 27 Cb -0.16 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1wz0 s LEU 27 CO 0.06 0.17 0.46 -0.54 0.23 0.00 0.00 176.35 176.73 1wz0 s LYS 28 N 0.26 3.72 -0.23 1.70 1.02 0.81 -1.38 119.74 125.64 1wz0 s LYS 28 Ca -0.16 -0.13 -0.15 0.00 0.02 0.00 0.00 55.97 55.54 1wz0 s LYS 28 Cb -0.17 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1wz0 s LYS 28 CO 0.08 -0.53 0.38 0.08 -0.92 0.00 0.00 175.35 174.45 1wz0 s VAL 29 N 2.25 5.19 -0.20 3.17 1.01 0.11 0.72 120.40 132.65 1wz0 s VAL 29 Ca 0.17 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 1wz0 s VAL 29 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1wz0 s VAL 29 CO 0.12 0.22 -0.03 0.00 0.00 0.00 0.00 175.10 175.42 1wz0 s ALA 30 N 1.56 2.93 0.00 5.51 0.00 -0.93 -1.84 121.76 129.01 1wz0 s ALA 30 Ca 0.17 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1wz0 s ALA 30 Cb -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1wz0 s ALA 30 CO 0.08 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1wz0 n GLY 31 N 4.28 0.59 3.14 0.00 0.00 -1.26 -3.40 105.19 108.53 1wz0 n GLY 31 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1wz0 n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wz0 s GLN 32 N -0.69 0.81 0.00 1.61 2.00 -1.25 -4.57 119.66 117.57 1wz0 s GLN 32 Ca 0.00 -1.31 0.00 0.00 -2.00 0.00 0.00 55.36 52.05 1wz0 s GLN 32 Cb 0.00 0.24 0.00 0.00 0.80 0.00 0.00 33.01 34.05 1wz0 s GLN 32 CO 0.00 -0.21 1.83 -0.25 -0.50 0.00 0.00 175.29 176.16 1wz0 n ASP 33 N -0.02 4.92 0.00 6.67 9.92 -1.26 -3.51 116.55 133.27 1wz0 n ASP 33 Ca -0.09 -2.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.86 1wz0 n ASP 33 Cb 0.63 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 1wz0 n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wz0 n GLY 34 N 1.44 0.00 3.80 0.44 0.00 -1.26 -5.10 105.19 104.50 1wz0 n GLY 34 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1wz0 n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wz0 s SER 35 N -0.03 6.78 -0.08 1.61 0.01 -1.23 -5.07 113.70 115.68 1wz0 s SER 35 Ca 0.00 0.92 -0.03 0.00 1.31 0.00 0.00 55.95 58.15 1wz0 s SER 35 Cb 0.00 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 64.01 1wz0 s SER 35 CO 0.00 0.22 0.16 -0.69 0.41 0.00 0.00 173.24 173.34 1wz0 s VAL 36 N -0.53 -0.26 -0.17 3.43 1.01 -1.26 -3.92 120.40 118.70 1wz0 s VAL 36 Ca 0.24 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 1wz0 s VAL 36 Cb -0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 1wz0 s VAL 36 CO 0.12 0.15 -0.13 -0.69 0.00 0.00 0.00 175.10 174.55 1wz0 s VAL 37 N 2.28 2.79 0.37 2.92 1.01 -0.76 -4.96 120.40 124.04 1wz0 s VAL 37 Ca 0.03 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1wz0 s VAL 37 Cb -0.12 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1wz0 s VAL 37 CO -0.06 0.50 0.54 -1.10 0.00 0.00 0.00 175.10 174.98 1wz0 s GLN 38 N 0.97 3.14 -0.20 2.72 1.11 -1.26 0.04 119.66 126.18 1wz0 s GLN 38 Ca -0.02 -0.77 -0.16 0.00 0.01 0.00 0.00 55.36 54.42 1wz0 s GLN 38 Cb -0.15 -2.72 0.06 0.00 -1.01 0.00 0.00 33.01 29.19 1wz0 s GLN 38 CO -0.02 -0.03 0.51 -0.06 0.01 0.00 0.00 175.29 175.70 1wz0 s PHE 39 N -2.31 -0.63 -0.08 0.91 0.40 -0.48 -4.93 117.98 110.87 1wz0 s PHE 39 Ca 0.45 1.44 0.04 0.00 -0.60 0.00 0.00 56.93 58.26 1wz0 s PHE 39 Cb -0.10 0.26 -0.01 0.00 0.51 0.00 0.00 43.02 43.68 1wz0 s PHE 39 CO 0.34 -0.32 -0.21 0.21 0.70 0.00 0.00 175.22 175.94 1wz0 s LYS 40 N 0.68 2.80 0.32 0.44 2.36 -1.26 -0.89 119.74 124.20 1wz0 s LYS 40 Ca -0.03 -0.83 -0.01 0.00 -2.55 0.00 0.00 55.97 52.55 1wz0 s LYS 40 Cb -0.05 -2.31 0.00 0.00 -1.05 0.00 0.00 37.83 34.42 1wz0 s LYS 40 CO -0.05 0.34 0.43 0.44 1.55 0.00 0.00 175.35 178.06 1wz0 n ILE 41 N 3.08 0.00 -3.45 5.43 -5.35 -1.04 -4.99 119.36 113.05 1wz0 n ILE 41 Ca -0.18 -1.68 -0.29 0.00 -0.27 0.00 0.00 62.75 60.34 1wz0 n ILE 41 Cb 0.52 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.40 1wz0 n ILE 41 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1wz0 s LYS 42 N -2.78 3.62 0.46 6.28 1.02 -1.26 -2.27 119.74 124.81 1wz0 s LYS 42 Ca 0.27 -0.06 0.12 0.00 0.02 0.00 0.00 55.97 56.33 1wz0 s LYS 42 Cb -0.01 -2.71 1.05 0.00 -0.52 0.00 0.00 37.83 35.64 1wz0 s LYS 42 CO 0.20 0.29 2.06 0.00 -0.92 0.00 0.00 175.35 176.98 1wz0 h ARG 43 N 1.92 0.17 -0.31 1.68 3.08 -1.97 -0.53 114.38 118.43 1wz0 h ARG 43 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1wz0 h ARG 43 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1wz0 h ARG 43 CO 0.67 0.18 0.00 -2.39 -1.07 0.00 0.00 179.97 177.36 1wz0 n HIS 44 N -4.45 0.40 -3.51 3.04 1.44 -1.26 -2.54 115.22 108.34 1wz0 n HIS 44 Ca -0.01 -0.20 -0.37 0.00 -2.01 0.00 0.00 57.72 55.14 1wz0 n HIS 44 Cb 0.14 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.18 1wz0 n HIS 44 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1wz0 s THR 45 N -1.60 5.29 0.57 0.61 2.01 -0.21 -5.01 115.64 117.30 1wz0 s THR 45 Ca 0.36 0.59 -0.19 0.00 0.31 0.00 0.00 61.69 62.77 1wz0 s THR 45 Cb 0.21 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1wz0 s THR 45 CO 0.30 0.38 1.13 -2.16 -0.69 0.00 0.00 174.62 173.57 1wz0 s PRO 46 N 0.51 3.25 0.10 4.92 0.04 -1.26 -4.04 135.00 138.52 1wz0 s PRO 46 Ca 0.17 1.57 0.16 0.00 0.04 0.00 0.00 61.00 62.94 1wz0 s PRO 46 Cb -0.13 -2.00 0.70 0.00 0.04 0.00 0.00 34.50 33.11 1wz0 s PRO 46 CO 0.05 -0.92 1.51 1.28 0.04 0.00 0.00 177.00 178.95 1wz0 n LEU 47 N -1.52 0.24 -0.33 -3.56 4.77 -1.09 -3.38 117.00 112.13 1wz0 n LEU 47 Ca 0.11 0.56 0.26 0.00 -0.03 0.00 0.00 56.01 56.92 1wz0 n LEU 47 Cb 0.51 -0.54 0.50 0.00 -2.33 0.00 0.00 43.42 41.56 1wz0 n LEU 47 CO 0.43 -0.41 1.04 0.77 -1.33 0.00 0.00 177.39 177.89 1wz0 h SER 48 N 0.00 0.26 0.02 -1.43 4.64 -1.72 0.26 113.55 115.57 1wz0 h SER 48 Ca 0.00 0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1wz0 h SER 48 Cb 0.25 0.26 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1wz0 h SER 48 CO 0.00 -0.33 -0.25 0.11 -0.87 0.00 0.00 176.83 175.50 1wz0 h LYS 49 N 0.10 0.13 -0.41 4.77 1.57 -1.89 -3.07 116.57 117.78 1wz0 h LYS 49 Ca 0.77 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 59.47 1wz0 h LYS 49 Cb 1.89 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 34.17 1wz0 h LYS 49 CO -0.74 0.98 -0.18 1.25 -0.57 0.00 0.00 179.45 180.19 1wz0 h LEU 50 N -0.64 -0.62 0.11 2.94 5.85 -0.82 0.42 115.31 122.55 1wz0 h LEU 50 Ca -0.04 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1wz0 h LEU 50 Cb 1.08 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1wz0 h LEU 50 CO 0.05 -0.21 -0.20 0.24 -0.34 0.00 0.00 178.44 177.97 1wz0 h MET 51 N -0.10 -0.37 -0.37 1.25 2.86 -0.90 -1.81 114.93 115.49 1wz0 h MET 51 Ca 0.20 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.94 1wz0 h MET 51 Cb 0.41 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 1wz0 h MET 51 CO -0.47 -0.25 -0.11 0.87 1.06 0.00 0.00 176.91 178.00 1wz0 h LYS 52 N -0.38 -0.03 -0.03 1.72 1.57 -1.28 0.27 116.57 118.41 1wz0 h LYS 52 Ca 0.03 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1wz0 h LYS 52 Cb 0.40 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1wz0 h LYS 52 CO -0.11 -0.02 0.06 0.00 -0.57 0.00 0.00 179.45 178.81 1wz0 h ALA 53 N 1.31 1.32 0.00 3.86 0.00 -0.63 0.11 119.26 125.22 1wz0 h ALA 53 Ca 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1wz0 h ALA 53 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wz0 h ALA 53 CO -0.40 -0.08 -0.96 -0.92 0.00 0.00 0.00 179.25 176.90 1wz0 h TYR 54 N 0.00 0.00 0.07 0.00 3.20 0.32 -3.14 116.97 117.42 1wz0 h TYR 54 Ca 0.01 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.58 1wz0 h TYR 54 Cb 0.13 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1wz0 h TYR 54 CO 0.00 0.28 -1.64 0.00 -1.64 0.00 0.00 178.16 175.16 1wz0 h GLU 56 N 0.04 0.39 -0.65 0.00 4.11 -1.11 0.76 114.58 118.12 1wz0 h GLU 56 Ca -0.27 -0.24 0.13 0.00 0.07 0.00 0.00 59.36 59.04 1wz0 h GLU 56 Cb 2.00 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 31.15 1wz0 h GLU 56 CO 0.12 0.83 -0.22 -0.09 0.07 0.00 0.00 179.01 179.72 1wz0 h ARG 57 N -0.01 -0.05 0.00 1.06 2.43 -1.71 -1.50 114.38 114.60 1wz0 h ARG 57 Ca 0.01 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.92 1wz0 h ARG 57 Cb 0.80 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 1wz0 h ARG 57 CO 0.05 -0.03 -1.47 1.96 -1.51 0.00 0.00 179.97 178.97 1wz0 h GLN 58 N -0.05 0.00 -0.11 0.20 1.08 -1.69 -3.49 115.11 111.06 1wz0 h GLN 58 Ca 0.30 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1wz0 h GLN 58 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1wz0 h GLN 58 CO -0.69 0.66 0.00 0.41 -0.95 0.00 0.00 178.83 178.26 1wz0 n GLY 59 N 1.48 1.29 3.99 3.46 0.00 0.22 -5.10 105.19 110.54 1wz0 n GLY 59 Ca -0.11 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1wz0 n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wz0 s LEU 60 N -0.11 3.24 -0.07 0.99 1.43 0.12 -4.98 118.68 119.32 1wz0 s LEU 60 Ca 0.00 -0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 52.20 1wz0 s LEU 60 Cb 0.00 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1wz0 s LEU 60 CO 0.00 -1.07 0.34 -0.44 0.23 0.00 0.00 176.35 175.41 1wz0 s SER 61 N -4.47 6.64 0.19 2.29 0.01 -1.26 -4.57 113.70 112.54 1wz0 s SER 61 Ca 0.55 0.76 -0.14 0.00 1.31 0.00 0.00 55.95 58.43 1wz0 s SER 61 Cb -0.06 -2.21 0.19 0.00 0.21 0.00 0.00 66.02 64.15 1wz0 s SER 61 CO 0.34 0.26 1.66 -0.03 0.41 0.00 0.00 173.24 175.88 1wz0 h MET 62 N 5.38 0.06 0.00 12.44 4.05 -1.94 0.39 114.93 135.31 1wz0 h MET 62 Ca -0.49 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 1wz0 h MET 62 Cb 1.21 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1wz0 h MET 62 CO 0.65 0.04 -0.03 0.07 0.23 0.00 0.00 176.91 177.87 1wz0 h ARG 63 N 0.06 0.00 -0.06 0.39 0.11 -2.03 -2.45 114.38 110.40 1wz0 h ARG 63 Ca 0.25 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.11 1wz0 h ARG 63 Cb 0.39 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.48 1wz0 h ARG 63 CO -0.48 0.03 -0.87 0.37 0.10 0.00 0.00 179.97 179.12 1wz0 h GLN 64 N 0.00 0.56 -6.09 0.08 4.15 -0.64 -3.45 115.11 109.72 1wz0 h GLN 64 Ca -0.00 -0.53 -0.54 0.00 0.77 0.00 0.00 58.65 58.35 1wz0 h GLN 64 Cb 0.30 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 1wz0 h GLN 64 CO 0.00 1.15 -0.49 0.96 -1.93 0.00 0.00 178.83 178.53 1wz0 s ILE 65 N -3.48 5.12 0.04 2.39 -4.36 -0.71 -4.68 121.20 115.52 1wz0 s ILE 65 Ca -0.08 -0.80 0.06 0.00 -0.26 0.00 0.00 60.65 59.58 1wz0 s ILE 65 Cb 0.09 -3.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.13 1wz0 s ILE 65 CO 0.88 -0.11 -0.18 -0.60 0.24 0.00 0.00 174.94 175.17 1wz0 s ARG 66 N -3.25 1.24 -0.01 0.37 6.06 -1.26 -4.86 118.95 117.24 1wz0 s ARG 66 Ca 0.34 -0.86 0.05 0.00 -2.50 0.00 0.00 55.73 52.76 1wz0 s ARG 66 Cb -0.11 -1.31 -0.03 0.00 0.06 0.00 0.00 34.95 33.56 1wz0 s ARG 66 CO 0.27 0.33 -0.15 -0.06 -2.50 0.00 0.00 175.30 173.20 1wz0 s PHE 67 N -0.79 2.66 -0.10 5.12 0.40 -1.26 -3.23 117.98 120.78 1wz0 s PHE 67 Ca 0.06 -0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 56.04 1wz0 s PHE 67 Cb -0.08 -1.56 0.04 0.00 0.51 0.00 0.00 43.02 41.92 1wz0 s PHE 67 CO 0.01 0.23 0.39 -0.98 0.70 0.00 0.00 175.22 175.58 1wz0 s ARG 68 N -1.10 0.57 -0.05 0.44 1.70 -0.65 -1.21 118.95 118.65 1wz0 s ARG 68 Ca 0.13 0.31 0.02 0.00 -0.47 0.00 0.00 55.73 55.72 1wz0 s ARG 68 Cb -0.11 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1wz0 s ARG 68 CO 0.03 -0.11 -0.09 0.12 -1.08 0.00 0.00 175.30 174.17 1wz0 s PHE 69 N -0.36 1.15 -1.48 5.89 2.19 0.23 -1.94 117.98 123.65 1wz0 s PHE 69 Ca -0.05 -0.37 0.00 0.00 0.33 0.00 0.00 56.93 56.84 1wz0 s PHE 69 Cb -0.03 -0.87 0.00 0.00 -1.31 0.00 0.00 43.02 40.80 1wz0 s PHE 69 CO 0.02 -0.21 0.00 -0.25 1.83 0.00 0.00 175.22 176.61 1wz0 n ASP 70 N 3.78 -5.07 -0.32 6.13 9.92 -1.26 -1.98 116.55 127.75 1wz0 n ASP 70 Ca -0.23 -0.01 -0.03 0.00 -0.53 0.00 0.00 54.79 53.99 1wz0 n ASP 70 Cb 0.52 -4.16 -0.00 0.00 -0.64 0.00 0.00 41.12 36.83 1wz0 n ASP 70 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wz0 n GLY 71 N -1.01 0.33 2.93 0.44 0.00 -1.26 -5.05 105.19 101.57 1wz0 n GLY 71 Ca -0.20 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1wz0 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wz0 s GLN 72 N -3.70 0.22 -0.30 1.61 -0.21 -0.84 -5.11 119.66 111.33 1wz0 s GLN 72 Ca 0.00 -0.24 -0.29 0.00 0.02 0.00 0.00 55.36 54.86 1wz0 s GLN 72 Cb 0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.88 1wz0 s GLN 72 CO 0.00 0.02 1.67 -1.25 -2.12 0.00 0.00 175.29 173.61 1wz0 s PRO 73 N -0.46 3.55 0.12 2.91 0.04 -1.26 0.77 135.00 140.66 1wz0 s PRO 73 Ca -0.03 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.34 1wz0 s PRO 73 Cb -0.03 -4.11 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 1wz0 s PRO 73 CO -0.00 -1.59 0.45 0.96 0.04 0.00 0.00 177.00 176.85 1wz0 s ILE 74 N 6.00 5.03 0.20 0.56 -4.36 -0.35 -4.90 121.20 123.39 1wz0 s ILE 74 Ca 0.74 0.49 0.06 0.00 -0.26 0.00 0.00 60.65 61.68 1wz0 s ILE 74 Cb -0.22 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 39.79 1wz0 s ILE 74 CO 0.32 0.21 0.16 0.20 0.24 0.00 0.00 174.94 176.07 1wz0 s ASN 75 N -1.89 5.50 0.32 4.36 0.01 -1.26 -4.54 114.94 117.45 1wz0 s ASN 75 Ca 0.36 -0.19 -0.00 0.00 -0.71 0.00 0.00 52.86 52.32 1wz0 s ASN 75 Cb -0.14 -1.41 0.52 0.00 0.41 0.00 0.00 41.25 40.63 1wz0 s ASN 75 CO 0.19 0.02 1.97 1.05 -1.51 0.00 0.00 177.10 178.82 1wz0 h GLU 76 N 1.99 0.94 -0.61 -0.60 4.11 -1.97 -2.47 114.58 115.98 1wz0 h GLU 76 Ca -0.48 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 58.85 1wz0 h GLU 76 Cb 1.22 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1wz0 h GLU 76 CO 0.62 0.65 0.28 1.79 0.07 0.00 0.00 179.01 182.42 1wz0 h THR 77 N 0.96 1.22 -3.49 -1.06 1.35 -1.95 -2.39 112.91 107.54 1wz0 h THR 77 Ca 0.25 -0.63 -0.57 0.00 -0.55 0.00 0.00 66.41 64.91 1wz0 h THR 77 Cb -0.05 0.51 0.15 0.00 -1.73 0.00 0.00 68.15 67.03 1wz0 h THR 77 CO -0.05 0.25 0.22 0.47 -0.25 0.00 0.00 175.52 176.16 1wz0 n ASP 78 N -4.50 1.27 -4.83 5.36 8.00 -0.93 -4.74 116.55 116.17 1wz0 n ASP 78 Ca 0.04 0.91 -0.22 0.00 0.71 0.00 0.00 54.79 56.23 1wz0 n ASP 78 Cb 0.13 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 39.78 1wz0 n ASP 78 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wz0 s THR 79 N -1.40 4.30 0.21 -3.53 -4.23 -1.26 -3.05 115.64 106.67 1wz0 s THR 79 Ca 0.71 -1.40 0.25 0.00 -1.18 0.00 0.00 61.69 60.07 1wz0 s THR 79 Cb -0.46 -3.37 0.25 0.00 1.34 0.00 0.00 72.50 70.27 1wz0 s THR 79 CO 0.51 -0.32 1.90 1.55 -0.54 0.00 0.00 174.62 177.71 1wz0 h PRO 80 N 1.45 0.00 0.00 3.99 0.13 -1.70 -2.77 132.00 133.11 1wz0 h PRO 80 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1wz0 h PRO 80 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1wz0 h PRO 80 CO 0.60 0.19 -0.47 0.00 -0.23 0.00 0.00 178.00 178.09 1wz0 h ALA 81 N 1.81 0.75 -0.19 -0.56 0.00 -1.81 0.14 119.26 119.39 1wz0 h ALA 81 Ca -0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1wz0 h ALA 81 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wz0 h ALA 81 CO 0.02 0.59 -0.59 0.37 0.00 0.00 0.00 179.25 179.64 1wz0 h GLN 82 N 0.00 0.62 -0.86 0.00 5.75 -1.77 -3.02 115.11 115.83 1wz0 h GLN 82 Ca -0.00 -0.42 -0.26 0.00 -0.15 0.00 0.00 58.65 57.82 1wz0 h GLN 82 Cb 1.25 0.06 -0.15 0.00 1.07 0.00 0.00 27.48 29.71 1wz0 h GLN 82 CO 0.06 1.03 0.33 1.28 -2.65 0.00 0.00 178.83 178.88 1wz0 n LEU 83 N -3.95 5.64 -4.32 -2.39 4.77 -1.22 -4.91 117.00 110.62 1wz0 n LEU 83 Ca -0.04 -2.95 -0.31 0.00 -0.03 0.00 0.00 56.01 52.68 1wz0 n LEU 83 Cb 0.63 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 1wz0 n LEU 83 CO 0.48 0.80 -0.47 -1.84 -1.33 0.00 0.00 177.39 175.04 1wz0 n GLU 84 N -0.31 -0.98 -1.99 3.23 0.28 -1.14 -4.79 120.64 114.93 1wz0 n GLU 84 Ca 0.39 0.10 -0.42 0.00 -0.16 0.00 0.00 57.16 57.06 1wz0 n GLU 84 Cb 1.30 -3.63 -0.03 0.00 1.43 0.00 0.00 31.44 30.52 1wz0 n GLU 84 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1wz0 s MET 85 N -7.37 4.14 0.78 3.44 -1.94 0.48 -5.00 119.30 113.83 1wz0 s MET 85 Ca 0.02 2.18 -0.05 0.00 -1.71 0.00 0.00 55.69 56.13 1wz0 s MET 85 Cb -0.01 -4.01 0.14 0.00 2.01 0.00 0.00 34.83 32.96 1wz0 s MET 85 CO 1.00 -0.90 1.07 -1.83 -0.01 0.00 0.00 175.02 174.35 1wz0 s GLU 86 N 4.13 1.46 0.45 2.03 -1.05 -1.26 -4.89 118.70 119.58 1wz0 s GLU 86 Ca 0.75 -0.89 -0.20 0.00 -0.15 0.00 0.00 54.97 54.47 1wz0 s GLU 86 Cb -0.33 -2.21 -0.10 0.00 -0.44 0.00 0.00 34.13 31.05 1wz0 s GLU 86 CO 0.30 -1.66 0.98 0.16 0.95 0.00 0.00 175.26 175.99 1wz0 s ASP 87 N -4.76 6.74 -1.57 0.83 -4.77 -1.26 -3.55 116.67 108.33 1wz0 s ASP 87 Ca 0.68 1.75 0.00 0.00 -3.30 0.00 0.00 52.55 51.68 1wz0 s ASP 87 Cb -0.05 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 1wz0 s ASP 87 CO 0.46 -0.50 0.00 -0.62 0.70 0.00 0.00 175.17 175.21 1wz0 n GLU 88 N -0.81 -1.85 -0.45 2.11 1.02 -0.14 -4.89 120.64 115.64 1wz0 n GLU 88 Ca 0.08 0.89 -0.18 0.00 -0.02 0.00 0.00 57.16 57.92 1wz0 n GLU 88 Cb 0.54 -5.53 0.16 0.00 -0.02 0.00 0.00 31.44 26.59 1wz0 n GLU 88 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wz0 n ASP 89 N -1.93 -2.30 -3.67 1.62 -0.08 0.25 -4.73 116.55 105.71 1wz0 n ASP 89 Ca -0.22 -0.77 -0.19 0.00 -1.51 0.00 0.00 54.79 52.11 1wz0 n ASP 89 Cb 0.66 -0.61 -0.18 0.00 2.34 0.00 0.00 41.12 43.34 1wz0 n ASP 89 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1wz0 s THR 90 N -2.01 -0.13 -0.01 5.18 2.01 -1.26 -0.14 115.64 119.29 1wz0 s THR 90 Ca 0.42 0.41 -0.02 0.00 0.31 0.00 0.00 61.69 62.81 1wz0 s THR 90 Cb -0.05 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1wz0 s THR 90 CO 0.33 0.17 0.17 -0.63 -0.69 0.00 0.00 174.62 173.98 1wz0 s ILE 91 N 2.13 5.36 -0.22 1.82 1.01 0.22 -4.77 121.20 126.75 1wz0 s ILE 91 Ca 0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1wz0 s ILE 91 Cb -0.12 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1wz0 s ILE 91 CO -0.03 0.33 0.06 -1.81 0.00 0.00 0.00 174.94 173.48 1wz0 s ASP 92 N -1.92 5.24 0.02 3.58 1.01 -0.82 -2.18 116.67 121.59 1wz0 s ASP 92 Ca 0.27 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.41 1wz0 s ASP 92 Cb -0.13 -1.92 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1wz0 s ASP 92 CO 0.18 0.04 -0.03 -0.69 0.21 0.00 0.00 175.17 174.89 1wz0 s VAL 93 N 1.16 0.13 -0.33 -1.27 1.01 -1.22 -1.64 120.40 118.25 1wz0 s VAL 93 Ca 0.04 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1wz0 s VAL 93 Cb -0.14 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1wz0 s VAL 93 CO 0.03 -0.31 0.15 -0.36 0.00 0.00 0.00 175.10 174.61 1wz0 s PHE 94 N -0.96 3.19 -0.44 5.22 0.40 -1.20 -4.28 117.98 119.91 1wz0 s PHE 94 Ca -0.10 -0.76 -0.22 0.00 -0.60 0.00 0.00 56.93 55.26 1wz0 s PHE 94 Cb -0.07 -2.36 0.02 0.00 0.51 0.00 0.00 43.02 41.13 1wz0 s PHE 94 CO -0.01 -0.53 0.70 -0.65 0.70 0.00 0.00 175.22 175.43 1wz0 s GLN 95 N 1.57 3.34 -0.27 0.44 -0.21 -1.26 -4.12 119.66 119.14 1wz0 s GLN 95 Ca 0.03 -0.26 -0.09 0.00 0.02 0.00 0.00 55.36 55.07 1wz0 s GLN 95 Cb -0.18 -3.94 -0.03 0.00 1.00 0.00 0.00 33.01 29.86 1wz0 s GLN 95 CO 0.06 -1.05 0.12 -0.65 -2.12 0.00 0.00 175.29 171.65 1wz0 s GLN 96 N 3.00 3.67 0.29 2.91 -0.21 -1.26 -5.09 119.66 122.97 1wz0 s GLN 96 Ca 0.25 -0.49 0.09 0.00 0.02 0.00 0.00 55.36 55.24 1wz0 s GLN 96 Cb -0.13 -3.48 -0.06 0.00 1.00 0.00 0.00 33.01 30.34 1wz0 s GLN 96 CO 0.20 -0.24 -0.12 -0.65 -2.12 0.00 0.00 175.29 172.37 1wz0 s GLN 97 N 1.66 1.64 0.02 2.91 -0.21 -1.26 -4.97 119.66 119.45 1wz0 s GLN 97 Ca 0.06 -1.80 0.07 0.00 0.02 0.00 0.00 55.36 53.71 1wz0 s GLN 97 Cb -0.16 -1.49 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 1wz0 s GLN 97 CO 0.06 0.17 -0.20 -0.08 -2.12 0.00 0.00 175.29 173.13 1wz0 s THR 98 N -2.74 2.65 -1.48 -0.19 -1.32 -1.26 -4.66 115.64 106.63 1wz0 s THR 98 Ca 0.30 -1.15 -0.12 0.00 -1.21 0.00 0.00 61.69 59.50 1wz0 s THR 98 Cb 0.00 -2.08 0.06 0.00 -1.51 0.00 0.00 72.50 68.98 1wz0 s THR 98 CO 0.13 0.40 1.02 -1.20 -2.21 0.00 0.00 174.62 172.76 1wz0 n SER 99 N 1.77 -4.96 -4.20 8.08 7.64 -1.26 -4.93 113.62 115.76 1wz0 n SER 99 Ca -0.16 -0.73 -0.40 0.00 1.01 0.00 0.00 58.87 58.58 1wz0 n SER 99 Cb 0.52 -4.16 -0.05 0.00 -1.01 0.00 0.00 64.21 59.51 1wz0 n SER 99 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wz0 s GLY 100 N -3.37 2.88 0.00 0.23 0.00 -1.26 -4.87 107.32 100.92 1wz0 s GLY 100 Ca 0.61 -3.59 0.14 0.00 0.00 0.00 0.00 44.72 41.88 1wz0 s GLY 100 CO 0.81 1.21 1.27 -1.55 0.00 0.00 0.00 173.10 174.84 1wz0 n PRO 101 N 3.04 0.49 -1.99 2.90 -0.04 -1.26 -4.79 135.00 133.35 1wz0 n PRO 101 Ca 0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 1wz0 n PRO 101 Cb 0.40 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1wz0 n PRO 101 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wz0 s SER 102 N -1.96 6.65 0.00 3.54 0.01 -1.26 -5.01 113.70 115.68 1wz0 s SER 102 Ca 0.21 2.46 0.01 0.00 1.31 0.00 0.00 55.95 59.94 1wz0 s SER 102 Cb 0.10 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 1wz0 s SER 102 CO 0.16 -0.82 -0.03 -0.44 0.41 0.00 0.00 173.24 172.52 1wz0 s SER 103 N 1.81 0.34 0.00 2.44 0.01 -1.26 -5.24 113.70 111.81 1wz0 s SER 103 Ca 0.70 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1wz0 s SER 103 Cb -0.40 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.82 1wz0 s SER 103 CO 0.31 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.56