#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wik n SER 2 N 0.00 -0.56 -1.27 1.61 2.88 -1.26 -5.16 113.62 109.85 1wik n SER 2 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1wik n SER 2 Cb 0.00 0.71 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1wik n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wik n SER 3 N -3.28 -7.03 0.00 -3.46 2.88 -1.26 -5.08 113.62 96.39 1wik n SER 3 Ca 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1wik n SER 3 Cb 0.00 -3.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.76 1wik n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wik n GLY 4 N -1.23 -0.38 2.84 0.46 0.00 -1.26 -5.09 105.19 100.52 1wik n GLY 4 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 1wik n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wik n SER 5 N 0.00 -7.73 -0.18 1.61 2.88 -1.26 -4.89 113.62 104.05 1wik n SER 5 Ca 0.00 0.41 -0.12 0.00 -1.33 0.00 0.00 58.87 57.83 1wik n SER 5 Cb 0.00 -5.23 -0.08 0.00 -0.75 0.00 0.00 64.21 58.15 1wik n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wik h SER 6 N 1.65 -1.75 0.00 -3.46 4.64 -2.05 -3.48 113.55 109.09 1wik h SER 6 Ca 0.00 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1wik h SER 6 Cb 0.97 0.75 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1wik h SER 6 CO 0.21 -0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.41 1wik n GLY 7 N -1.38 1.23 0.16 -0.77 0.00 -1.26 -4.69 105.19 98.49 1wik n GLY 7 Ca -0.01 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 1wik n GLY 7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wik h LEU 8 N 0.00 -0.34 -0.78 0.99 5.85 -1.98 0.11 115.31 119.17 1wik h LEU 8 Ca 0.00 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.91 1wik h LEU 8 Cb 0.00 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 40.99 1wik h LEU 8 CO 0.00 -0.16 0.14 0.07 -0.34 0.00 0.00 178.44 178.14 1wik h LYS 9 N -0.55 0.19 -0.52 1.25 2.10 -1.98 0.53 116.57 117.59 1wik h LYS 9 Ca -0.04 -0.01 0.06 0.00 -2.00 0.00 0.00 60.65 58.65 1wik h LYS 9 Cb 0.30 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.54 1wik h LYS 9 CO 0.07 0.13 0.24 0.28 -2.00 0.00 0.00 179.45 178.16 1wik h VAL 10 N 0.20 0.90 0.36 0.07 2.07 -1.87 0.35 116.25 118.34 1wik h VAL 10 Ca 0.45 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 1wik h VAL 10 Cb 0.81 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1wik h VAL 10 CO -0.59 0.08 -0.43 -0.07 0.02 0.00 0.00 177.57 176.58 1wik h LEU 11 N 0.46 -1.20 -1.92 2.57 3.38 0.21 1.43 115.31 120.24 1wik h LEU 11 Ca 0.24 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wik h LEU 11 Cb 0.19 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1wik h LEU 11 CO -0.20 -0.57 0.00 0.71 0.09 0.00 0.00 178.44 178.48 1wik h THR 12 N -0.83 0.00 -0.14 0.22 1.35 -0.61 0.12 112.91 113.03 1wik h THR 12 Ca -0.03 -0.05 -0.06 0.00 -0.55 0.00 0.00 66.41 65.72 1wik h THR 12 Cb 0.76 0.77 -0.04 0.00 -1.73 0.00 0.00 68.15 67.91 1wik h THR 12 CO -0.11 0.00 -0.25 0.59 -0.25 0.00 0.00 175.52 175.50 1wik n ASN 13 N -2.59 2.21 -0.04 5.36 3.02 0.12 -4.71 115.26 118.63 1wik n ASN 13 Ca -0.02 -3.69 -0.00 0.00 -0.03 0.00 0.00 54.58 50.85 1wik n ASN 13 Cb 0.08 -0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1wik n ASN 13 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1wik h LYS 14 N 0.91 0.00 -6.46 3.52 3.64 0.46 -3.47 116.57 115.18 1wik h LYS 14 Ca 0.08 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.82 1wik h LYS 14 Cb 1.26 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 1wik h LYS 14 CO 0.15 0.00 -0.72 0.00 -2.27 0.00 0.00 179.45 176.61 1wik s ALA 15 N -2.65 2.97 0.24 5.00 0.00 -1.26 -5.02 121.76 121.04 1wik s ALA 15 Ca -0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 1wik s ALA 15 Cb 0.00 -0.80 0.31 0.00 0.00 0.00 0.00 23.12 22.63 1wik s ALA 15 CO 0.00 0.51 1.59 0.77 0.00 0.00 0.00 175.76 178.63 1wik h SER 16 N 3.06 -0.82 -3.61 0.00 0.02 -1.92 -3.32 113.55 106.97 1wik h SER 16 Ca -0.47 0.24 -0.68 0.00 -0.84 0.00 0.00 61.79 60.04 1wik h SER 16 Cb 1.19 0.52 -0.31 0.00 0.14 0.00 0.00 62.40 63.94 1wik h SER 16 CO 0.54 -0.27 -0.70 -0.69 -1.14 0.00 0.00 176.83 174.57 1wik s VAL 17 N -6.21 3.15 -0.13 2.27 1.01 -1.16 -4.55 120.40 114.78 1wik s VAL 17 Ca -0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 1wik s VAL 17 Cb 0.22 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1wik s VAL 17 CO 0.75 0.07 0.05 -0.32 0.00 0.00 0.00 175.10 175.65 1wik s MET 18 N 1.34 3.48 -0.26 2.72 1.75 -1.20 -0.27 119.30 126.86 1wik s MET 18 Ca -0.01 -0.34 -0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1wik s MET 18 Cb -0.18 -3.03 0.08 0.00 2.84 0.00 0.00 34.83 34.54 1wik s MET 18 CO -0.02 0.53 0.06 -1.17 -0.65 0.00 0.00 175.02 173.78 1wik s LEU 19 N -0.38 1.73 -0.20 4.11 1.98 -0.04 -2.80 118.68 123.07 1wik s LEU 19 Ca 0.09 -1.26 -0.14 0.00 -2.89 0.00 0.00 54.13 49.93 1wik s LEU 19 Cb -0.12 -0.75 -0.04 0.00 0.66 0.00 0.00 46.19 45.94 1wik s LEU 19 CO 0.02 -0.36 0.29 -0.36 -1.89 0.00 0.00 176.35 174.05 1wik s PHE 20 N 1.73 3.38 0.00 5.38 0.40 -1.12 -3.01 117.98 124.74 1wik s PHE 20 Ca 0.04 0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 56.58 1wik s PHE 20 Cb -0.17 -2.39 0.08 0.00 0.51 0.00 0.00 43.02 41.05 1wik s PHE 20 CO -0.18 0.09 0.70 0.00 0.70 0.00 0.00 175.22 176.54 1wik s MET 21 N 0.97 1.06 -0.30 0.44 0.23 -1.24 -3.22 119.30 117.24 1wik s MET 21 Ca 0.15 0.00 -0.27 0.00 -1.03 0.00 0.00 55.69 54.54 1wik s MET 21 Cb -0.14 0.49 0.01 0.00 -1.53 0.00 0.00 34.83 33.67 1wik s MET 21 CO 0.05 -0.38 0.95 -1.59 -2.03 0.00 0.00 175.02 172.02 1wik s LYS 22 N -2.04 4.04 0.00 3.16 -2.85 -1.26 -3.62 119.74 117.17 1wik s LYS 22 Ca -0.06 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 55.81 1wik s LYS 22 Cb -0.00 -3.72 0.00 0.00 -2.06 0.00 0.00 37.83 32.04 1wik s LYS 22 CO 0.01 -0.78 0.00 0.41 0.10 0.00 0.00 175.35 175.10 1wik n GLY 23 N 3.95 3.70 1.13 0.59 0.00 -1.26 -4.69 105.19 108.61 1wik n GLY 23 Ca 0.08 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1wik n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wik n ASN 24 N 0.00 -6.13 -0.34 1.61 3.02 -1.24 -2.26 115.26 109.93 1wik n ASN 24 Ca 0.00 1.21 0.24 0.00 -0.03 0.00 0.00 54.58 55.99 1wik n ASN 24 Cb 0.00 -3.79 0.47 0.00 -0.61 0.00 0.00 39.78 35.86 1wik n ASN 24 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1wik h LYS 25 N -0.79 0.34 -0.79 3.52 1.57 -1.93 0.48 116.57 118.97 1wik h LYS 25 Ca -0.12 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1wik h LYS 25 Cb 0.98 -0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.08 1wik h LYS 25 CO 0.04 0.22 -0.08 1.96 -0.57 0.00 0.00 179.45 181.02 1wik h GLN 26 N 0.35 0.05 -1.23 3.15 1.08 -2.03 -3.37 115.11 113.10 1wik h GLN 26 Ca 0.73 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.88 1wik h GLN 26 Cb 1.65 -0.01 -0.23 0.00 -0.05 0.00 0.00 27.48 28.83 1wik h GLN 26 CO -0.59 0.03 -0.43 -1.21 -0.95 0.00 0.00 178.83 175.68 1wik s GLU 27 N -6.16 0.52 0.00 1.46 2.02 0.17 -5.09 118.70 111.62 1wik s GLU 27 Ca -0.14 0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1wik s GLU 27 Cb 0.23 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.52 1wik s GLU 27 CO 0.76 -1.05 0.01 0.00 0.02 0.00 0.00 175.26 175.00 1wik n ALA 28 N 5.36 0.00 -2.03 5.21 0.00 -1.01 -3.65 120.51 124.38 1wik n ALA 28 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1wik n ALA 28 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1wik n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wik n LYS 29 N -0.11 -0.68 -2.70 0.00 -0.00 -1.26 -4.60 118.16 108.81 1wik n LYS 29 Ca 0.00 0.57 -0.05 0.00 -0.00 0.00 0.00 58.31 58.83 1wik n LYS 29 Cb 0.00 -0.78 0.04 0.00 -0.00 0.00 0.00 35.03 34.29 1wik n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wik n GLY 31 N 2.15 -4.60 3.93 0.00 0.00 -1.26 -4.02 105.19 101.38 1wik n GLY 31 Ca 0.09 0.83 -0.33 0.00 0.00 0.00 0.00 46.02 46.61 1wik n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wik n PHE 32 N 0.97 -1.07 0.00 1.61 3.01 -1.26 -4.85 117.46 115.88 1wik n PHE 32 Ca -0.11 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1wik n PHE 32 Cb 0.17 -2.02 0.00 0.00 -0.01 0.00 0.00 39.48 37.62 1wik n PHE 32 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1wik n SER 33 N -1.38 0.00 -0.42 4.37 3.41 -1.26 -4.19 113.62 114.15 1wik n SER 33 Ca -0.10 0.19 0.35 0.00 -0.26 0.00 0.00 58.87 59.04 1wik n SER 33 Cb 0.43 -0.43 0.63 0.00 -0.26 0.00 0.00 64.21 64.57 1wik n SER 33 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wik h LYS 34 N 0.00 0.12 0.00 4.33 1.63 -1.91 -1.52 116.57 119.22 1wik h LYS 34 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1wik h LYS 34 Cb 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1wik h LYS 34 CO 0.00 0.08 0.00 1.04 -3.45 0.00 0.00 179.45 177.12 1wik n GLN 35 N -4.71 0.00 -0.33 1.90 1.13 -1.26 0.17 117.38 114.27 1wik n GLN 35 Ca 0.36 0.63 0.07 0.00 -1.94 0.00 0.00 57.00 56.12 1wik n GLN 35 Cb 1.35 -1.26 0.17 0.00 0.11 0.00 0.00 30.24 30.61 1wik n GLN 35 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1wik h ILE 36 N 0.00 0.09 -0.09 5.09 2.10 -1.45 0.73 117.51 123.97 1wik h ILE 36 Ca 0.00 -0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.98 1wik h ILE 36 Cb 0.00 0.07 -0.05 0.00 -1.09 0.00 0.00 36.82 35.75 1wik h ILE 36 CO 0.00 0.00 -0.24 -0.07 -1.08 0.00 0.00 178.15 176.76 1wik h LEU 37 N 0.01 -0.75 -0.36 2.19 4.07 -0.97 1.16 115.31 120.66 1wik h LEU 37 Ca 0.48 0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.63 1wik h LEU 37 Cb 0.81 0.33 -0.07 0.00 1.08 0.00 0.00 40.66 42.80 1wik h LEU 37 CO -0.92 -0.30 -0.11 -0.33 -1.08 0.00 0.00 178.44 175.70 1wik h GLU 38 N -0.33 -0.03 -0.39 1.13 5.08 0.77 0.13 114.58 120.95 1wik h GLU 38 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1wik h GLU 38 Cb 0.46 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1wik h GLU 38 CO -0.28 -0.02 0.22 0.82 -1.00 0.00 0.00 179.01 178.75 1wik h ILE 39 N -0.03 1.14 -0.40 3.13 2.04 0.09 0.56 117.51 124.05 1wik h ILE 39 Ca 0.18 -0.36 0.12 0.00 1.00 0.00 0.00 64.86 65.79 1wik h ILE 39 Cb 0.30 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1wik h ILE 39 CO -0.39 0.15 0.32 -0.07 0.00 0.00 0.00 178.15 178.16 1wik h LEU 40 N 0.50 0.00 0.00 1.44 3.38 0.26 -1.43 115.31 119.47 1wik h LEU 40 Ca 0.14 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1wik h LEU 40 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1wik h LEU 40 CO -0.02 0.00 -0.53 0.78 0.09 0.00 0.00 178.44 178.75 1wik h ASN 41 N 0.00 0.00 -1.00 -0.43 2.35 0.70 -3.36 115.58 113.84 1wik h ASN 41 Ca 0.19 -0.73 0.17 0.00 -0.55 0.00 0.00 56.30 55.38 1wik h ASN 41 Cb 0.83 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.03 1wik h ASN 41 CO -0.00 1.18 -0.34 -1.20 -1.65 0.00 0.00 177.43 175.42 1wik n SER 42 N -4.54 -0.54 -0.42 5.81 7.64 0.18 0.18 113.62 121.92 1wik n SER 42 Ca -0.19 1.73 0.37 0.00 1.01 0.00 0.00 58.87 61.79 1wik n SER 42 Cb 0.54 -0.44 0.63 0.00 -1.01 0.00 0.00 64.21 63.92 1wik n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wik n THR 43 N -5.53 -0.26 0.00 0.44 -2.24 -0.71 -4.72 114.28 101.26 1wik n THR 43 Ca 0.12 1.74 0.00 0.00 -2.27 0.00 0.00 64.05 63.64 1wik n THR 43 Cb 0.44 -2.84 0.00 0.00 -2.10 0.00 0.00 70.33 65.83 1wik n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wik n GLY 44 N -1.45 1.94 0.42 3.38 0.00 0.48 -4.96 105.19 104.99 1wik n GLY 44 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 1wik n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wik n VAL 45 N -2.00 0.00 -5.04 1.61 0.24 -1.26 -5.05 118.33 106.83 1wik n VAL 45 Ca 0.00 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.34 61.92 1wik n VAL 45 Cb 0.00 -0.99 -0.14 0.00 -1.47 0.00 0.00 33.84 31.24 1wik n VAL 45 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1wik s GLU 46 N -3.30 2.48 0.23 7.34 -1.05 -1.26 -4.87 118.70 118.28 1wik s GLU 46 Ca 0.09 -0.78 -0.12 0.00 -0.15 0.00 0.00 54.97 54.01 1wik s GLU 46 Cb -0.01 -2.28 -0.01 0.00 -0.44 0.00 0.00 34.13 31.39 1wik s GLU 46 CO 0.07 0.54 0.43 1.52 0.95 0.00 0.00 175.26 178.77 1wik s TYR 47 N -0.54 0.42 0.18 4.83 -0.85 -1.26 -2.96 117.35 117.17 1wik s TYR 47 Ca 0.07 -0.77 0.02 0.00 -0.52 0.00 0.00 57.07 55.87 1wik s TYR 47 Cb -0.11 0.11 -0.05 0.00 0.38 0.00 0.00 41.96 42.29 1wik s TYR 47 CO 0.01 -0.94 0.02 -1.21 -1.52 0.00 0.00 175.55 171.91 1wik s GLU 48 N -4.02 1.13 0.22 -3.49 0.41 0.63 -4.96 118.70 108.62 1wik s GLU 48 Ca 0.23 -1.55 0.09 0.00 -0.41 0.00 0.00 54.97 53.33 1wik s GLU 48 Cb 0.00 -0.23 -0.05 0.00 -1.78 0.00 0.00 34.13 32.07 1wik s GLU 48 CO 0.08 -0.16 -0.17 0.95 -0.49 0.00 0.00 175.26 175.47 1wik s THR 49 N -3.69 2.01 0.11 3.63 -4.23 -1.26 -0.86 115.64 111.35 1wik s THR 49 Ca 0.25 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1wik s THR 49 Cb 0.06 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1wik s THR 49 CO 0.05 -0.47 -0.01 0.12 -0.54 0.00 0.00 174.62 173.77 1wik s PHE 50 N -2.62 0.87 -0.26 3.99 5.36 -1.16 -4.96 117.98 119.20 1wik s PHE 50 Ca 0.24 -1.05 -0.09 0.00 -0.96 0.00 0.00 56.93 55.06 1wik s PHE 50 Cb -0.03 -0.52 -0.04 0.00 -0.34 0.00 0.00 43.02 42.09 1wik s PHE 50 CO 0.09 -0.31 0.13 0.34 -1.46 0.00 0.00 175.22 174.02 1wik s ASP 51 N -3.05 5.65 0.09 6.13 -1.08 -1.26 -3.60 116.67 119.55 1wik s ASP 51 Ca 0.17 -0.08 0.23 0.00 -0.52 0.00 0.00 52.55 52.34 1wik s ASP 51 Cb 0.07 -2.03 -0.04 0.00 -1.46 0.00 0.00 42.92 39.45 1wik s ASP 51 CO -0.02 -0.03 0.93 2.30 0.52 0.00 0.00 175.17 178.87 1wik n ILE 52 N 4.90 0.29 0.02 4.11 -5.35 -1.26 -3.94 119.36 118.13 1wik n ILE 52 Ca -0.15 -0.39 -0.03 0.00 -0.27 0.00 0.00 62.75 61.91 1wik n ILE 52 Cb 0.52 -0.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.38 1wik n ILE 52 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1wik h LEU 53 N 0.00 -0.14 -0.75 7.28 3.38 -1.92 -3.35 115.31 119.82 1wik h LEU 53 Ca 0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1wik h LEU 53 Cb 0.87 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 1wik h LEU 53 CO 0.00 0.35 -0.50 -0.33 0.09 0.00 0.00 178.44 178.05 1wik h GLU 54 N -1.04 -0.15 -4.35 1.13 4.39 -2.00 -3.27 114.58 109.30 1wik h GLU 54 Ca -0.02 0.01 -0.73 0.00 0.34 0.00 0.00 59.36 58.96 1wik h GLU 54 Cb 0.14 0.03 -0.24 0.00 -0.10 0.00 0.00 28.75 28.58 1wik h GLU 54 CO 0.03 -0.10 -0.37 -0.51 -1.16 0.00 0.00 179.01 176.90 1wik s ASP 55 N -5.28 5.99 0.03 1.42 1.01 -1.25 -4.92 116.67 113.66 1wik s ASP 55 Ca -0.13 -1.39 -0.18 0.00 0.71 0.00 0.00 52.55 51.56 1wik s ASP 55 Cb 0.13 -2.12 -0.24 0.00 1.01 0.00 0.00 42.92 41.69 1wik s ASP 55 CO 0.65 -0.62 1.11 -0.33 0.21 0.00 0.00 175.17 176.20 1wik h GLU 56 N 8.65 0.51 -0.62 8.23 3.07 -1.68 -2.91 114.58 129.82 1wik h GLU 56 Ca -0.27 -0.57 0.12 0.00 -0.50 0.00 0.00 59.36 58.14 1wik h GLU 56 Cb 1.10 0.17 -0.09 0.00 -0.84 0.00 0.00 28.75 29.09 1wik h GLU 56 CO 0.84 1.20 0.10 0.93 -1.40 0.00 0.00 179.01 180.69 1wik h GLU 57 N 0.06 0.22 -0.38 2.33 5.08 -1.91 0.93 114.58 120.90 1wik h GLU 57 Ca -0.11 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1wik h GLU 57 Cb 1.50 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1wik h GLU 57 CO 0.16 0.14 0.18 0.28 -1.00 0.00 0.00 179.01 178.77 1wik h VAL 58 N 0.23 1.17 0.02 3.13 2.07 -1.92 0.15 116.25 121.09 1wik h VAL 58 Ca 0.33 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1wik h VAL 58 Cb 0.52 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1wik h VAL 58 CO -0.45 0.18 -0.03 -0.09 0.02 0.00 0.00 177.57 177.20 1wik h ARG 59 N 0.48 -0.05 -0.96 1.57 2.43 -0.77 0.71 114.38 117.78 1wik h ARG 59 Ca 0.13 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.51 1wik h ARG 59 Cb 0.12 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 1wik h ARG 59 CO -0.02 -0.03 0.61 -0.56 -1.51 0.00 0.00 179.97 178.46 1wik h GLN 60 N -0.05 0.54 0.00 0.20 3.07 -0.94 1.09 115.11 119.02 1wik h GLN 60 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1wik h GLN 60 Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.49 1wik h GLN 60 CO -0.01 0.36 0.00 0.78 0.09 0.00 0.00 178.83 180.05 1wik h GLY 61 N 0.55 0.00 0.00 0.06 0.00 -0.05 -2.37 103.07 101.27 1wik h GLY 61 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1wik h GLY 61 CO -0.27 0.00 -0.19 1.41 0.00 0.00 0.00 176.54 177.50 1wik h LEU 62 N 0.00 0.00 -0.97 3.11 3.38 0.75 -2.64 115.31 118.94 1wik h LEU 62 Ca 0.00 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.29 1wik h LEU 62 Cb 0.49 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.08 1wik h LEU 62 CO 0.00 0.40 0.40 0.07 0.09 0.00 0.00 178.44 179.40 1wik h LYS 63 N -0.62 0.15 -0.35 1.13 2.10 -1.09 1.51 116.57 119.40 1wik h LYS 63 Ca 0.00 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.49 1wik h LYS 63 Cb 0.19 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 1wik h LYS 63 CO 0.00 0.10 -0.39 1.15 -2.00 0.00 0.00 179.45 178.31 1wik h THR 64 N 0.16 1.28 -0.48 0.07 2.02 -1.58 1.67 112.91 116.04 1wik h THR 64 Ca 0.71 -1.57 0.10 0.00 0.77 0.00 0.00 66.41 66.41 1wik h THR 64 Cb 1.64 1.42 -0.09 0.00 -1.74 0.00 0.00 68.15 69.38 1wik h THR 64 CO -0.71 0.52 -0.15 0.15 0.37 0.00 0.00 175.52 175.69 1wik h PHE 65 N 0.70 -0.35 -0.36 3.16 3.04 0.25 -1.51 116.94 121.86 1wik h PHE 65 Ca 0.06 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1wik h PHE 65 Cb 0.97 0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1wik h PHE 65 CO 0.06 -0.24 0.00 0.43 -2.02 0.00 0.00 178.31 176.54 1wik n SER 66 N -5.37 3.42 -3.82 0.41 7.64 -0.75 -4.94 113.62 110.20 1wik n SER 66 Ca 0.04 -2.34 -0.28 0.00 1.01 0.00 0.00 58.87 57.30 1wik n SER 66 Cb 0.28 -0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 1wik n SER 66 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wik n ASN 67 N 0.31 -1.61 -3.61 6.43 2.85 0.54 -4.82 115.26 115.34 1wik n ASN 67 Ca 0.16 -0.63 -0.27 0.00 -0.11 0.00 0.00 54.58 53.73 1wik n ASN 67 Cb 0.61 -1.45 -0.10 0.00 1.24 0.00 0.00 39.78 40.08 1wik n ASN 67 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 1wik n TRP 68 N -3.53 1.75 0.75 1.20 -0.00 0.69 -4.93 117.44 113.37 1wik n TRP 68 Ca 0.08 -3.93 0.00 0.00 -0.00 0.00 0.00 57.50 53.65 1wik n TRP 68 Cb 0.47 -0.33 0.00 0.00 -0.00 0.00 0.00 31.31 31.45 1wik n TRP 68 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1wik n PRO 69 N 1.99 0.75 -3.79 5.87 -0.04 -1.26 -4.54 135.00 133.98 1wik n PRO 69 Ca 0.25 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.35 1wik n PRO 69 Cb 0.41 -1.13 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 1wik n PRO 69 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1wik s THR 70 N 0.22 3.31 0.46 0.52 2.01 -1.26 -5.08 115.64 115.83 1wik s THR 70 Ca 0.00 -2.66 -0.01 0.00 0.31 0.00 0.00 61.69 59.33 1wik s THR 70 Cb 0.00 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1wik s THR 70 CO 0.00 -0.78 0.70 -0.31 -0.69 0.00 0.00 174.62 173.54 1wik s TYR 71 N 0.38 3.29 0.78 4.92 2.02 -1.26 -4.53 117.35 122.95 1wik s TYR 71 Ca 0.14 0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 57.08 1wik s TYR 71 Cb -0.22 -2.33 0.19 0.00 -0.40 0.00 0.00 41.96 39.20 1wik s TYR 71 CO -0.04 -0.37 0.85 -0.35 -1.57 0.00 0.00 175.55 174.08 1wik n PRO 72 N -2.14 -1.70 -3.68 -1.71 -0.04 -1.26 -4.90 135.00 119.57 1wik n PRO 72 Ca 0.01 -1.34 -0.14 0.00 -0.04 0.00 0.00 63.50 61.99 1wik n PRO 72 Cb 0.57 -1.06 -0.08 0.00 -0.04 0.00 0.00 33.50 32.89 1wik n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wik s GLN 73 N -4.90 0.69 0.07 0.54 -0.21 -1.20 -4.03 119.66 110.63 1wik s GLN 73 Ca 0.52 0.46 0.06 0.00 0.02 0.00 0.00 55.36 56.41 1wik s GLN 73 Cb -0.03 0.33 -0.04 0.00 1.00 0.00 0.00 33.01 34.27 1wik s GLN 73 CO 0.38 -0.14 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.16 1wik s LEU 74 N -0.28 3.12 -0.05 2.90 2.96 -0.55 -2.80 118.68 123.98 1wik s LEU 74 Ca -0.04 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1wik s LEU 74 Cb -0.03 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1wik s LEU 74 CO 0.03 0.21 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.92 1wik s TYR 75 N -1.16 0.71 0.08 5.38 2.02 -1.12 -3.64 117.35 119.62 1wik s TYR 75 Ca 0.21 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.77 1wik s TYR 75 Cb -0.11 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 1wik s TYR 75 CO 0.13 -0.22 -0.15 0.08 -1.57 0.00 0.00 175.55 173.82 1wik s VAL 76 N 1.13 1.19 0.53 0.71 1.01 -1.26 -3.27 120.40 120.43 1wik s VAL 76 Ca -0.08 -1.40 0.47 0.00 0.00 0.00 0.00 61.98 60.97 1wik s VAL 76 Cb -0.14 -1.19 0.69 0.00 0.00 0.00 0.00 36.38 35.74 1wik s VAL 76 CO -0.01 -0.25 1.53 -1.14 0.00 0.00 0.00 175.10 175.23 1wik n ARG 77 N 1.13 -0.01 0.00 2.72 3.00 -1.26 -3.32 116.66 118.92 1wik n ARG 77 Ca -0.20 1.09 0.00 0.00 -0.00 0.00 0.00 57.85 58.74 1wik n ARG 77 Cb 0.55 -2.45 0.00 0.00 0.00 0.00 0.00 32.46 30.55 1wik n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wik n GLY 78 N -1.84 -0.78 3.34 5.14 0.00 -1.26 -5.03 105.19 104.76 1wik n GLY 78 Ca 0.43 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 1wik n GLY 78 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wik s ASP 79 N -1.64 2.15 -0.66 1.61 1.47 -1.21 -5.05 116.67 113.33 1wik s ASP 79 Ca 0.00 -1.15 -0.26 0.00 1.18 0.00 0.00 52.55 52.32 1wik s ASP 79 Cb 0.00 -0.06 -0.12 0.00 -0.34 0.00 0.00 42.92 42.41 1wik s ASP 79 CO 0.00 -0.40 2.42 -0.11 0.68 0.00 0.00 175.17 177.76 1wik n LEU 80 N -0.42 1.88 0.00 2.11 7.94 -1.26 -4.18 117.00 123.07 1wik n LEU 80 Ca -0.06 -0.94 0.00 0.00 -1.11 0.00 0.00 56.01 53.90 1wik n LEU 80 Cb 0.63 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1wik n LEU 80 CO 0.36 -2.03 0.47 0.52 -1.11 0.00 0.00 177.39 175.60 1wik n VAL 81 N 8.26 0.00 -2.46 1.96 0.31 -1.24 -4.98 118.33 120.18 1wik n VAL 81 Ca 0.44 1.43 0.00 0.00 -0.01 0.00 0.00 64.34 66.20 1wik n VAL 81 Cb 0.46 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1wik n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wik n GLY 82 N -0.98 -0.29 3.54 2.92 0.00 -1.26 -4.92 105.19 104.20 1wik n GLY 82 Ca 0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1wik n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wik n GLY 83 N 0.00 1.88 0.27 -0.02 0.00 -1.26 -1.48 105.19 104.57 1wik n GLY 83 Ca 0.00 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 43.74 1wik n GLY 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wik h LEU 84 N 0.00 -1.16 -0.99 0.99 7.12 -1.91 1.17 115.31 120.53 1wik h LEU 84 Ca -0.25 0.16 0.36 0.00 0.13 0.00 0.00 57.88 58.28 1wik h LEU 84 Cb 1.13 0.48 -0.18 0.00 -0.53 0.00 0.00 40.66 41.57 1wik h LEU 84 CO 0.35 -0.22 0.41 0.44 -0.13 0.00 0.00 178.44 179.29 1wik h ASP 85 N -0.18 0.14 0.19 1.25 5.19 -1.95 0.71 116.42 121.76 1wik h ASP 85 Ca 0.06 0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1wik h ASP 85 Cb 0.33 0.31 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1wik h ASP 85 CO -0.40 -0.37 -0.09 0.40 -3.12 0.00 0.00 179.24 175.66 1wik h ILE 86 N 0.05 0.00 -0.97 0.35 5.03 -0.24 -2.73 117.51 119.00 1wik h ILE 86 Ca 0.76 -0.19 0.09 0.00 -0.12 0.00 0.00 64.86 65.40 1wik h ILE 86 Cb 1.89 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 35.56 1wik h ILE 86 CO -0.78 0.00 -0.57 0.52 -0.68 0.00 0.00 178.15 176.63 1wik n VAL 87 N -3.21 -0.66 -0.32 1.67 0.31 0.35 0.15 118.33 116.62 1wik n VAL 87 Ca -0.03 2.39 0.12 0.00 -0.01 0.00 0.00 64.34 66.81 1wik n VAL 87 Cb 0.10 -2.95 0.26 0.00 -0.91 0.00 0.00 33.84 30.33 1wik n VAL 87 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1wik h LYS 88 N 0.00 0.05 0.28 5.55 3.11 0.24 0.27 116.57 126.08 1wik h LYS 88 Ca 0.16 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1wik h LYS 88 Cb 0.40 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.58 1wik h LYS 88 CO -0.91 0.03 -0.50 1.49 -2.81 0.00 0.00 179.45 176.75 1wik h GLU 89 N 0.05 -0.81 -0.25 1.90 4.57 0.16 1.36 114.58 121.57 1wik h GLU 89 Ca 0.55 0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.85 1wik h GLU 89 Cb 1.10 0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 29.80 1wik h GLU 89 CO -0.84 -0.54 -0.36 -0.07 -1.18 0.00 0.00 179.01 176.02 1wik h LEU 90 N -0.85 -1.14 0.46 1.64 -0.00 0.39 0.74 115.31 116.55 1wik h LEU 90 Ca -0.02 0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1wik h LEU 90 Cb 0.80 0.50 -0.03 0.00 -0.00 0.00 0.00 40.66 41.93 1wik h LEU 90 CO -0.18 -0.36 -0.51 0.50 -0.00 0.00 0.00 178.44 177.88 1wik h LYS 91 N -0.36 -0.94 -0.62 1.13 3.11 -0.48 1.30 116.57 119.70 1wik h LYS 91 Ca 0.12 0.06 0.10 0.00 -2.81 0.00 0.00 60.65 58.12 1wik h LYS 91 Cb 0.57 0.21 -0.11 0.00 -1.00 0.00 0.00 32.23 31.89 1wik h LYS 91 CO -0.45 -0.63 -0.39 0.22 -2.81 0.00 0.00 179.45 175.39 1wik h ASP 92 N -0.97 -1.37 -0.30 4.20 3.58 0.24 0.22 116.42 122.02 1wik h ASP 92 Ca -0.06 0.25 0.03 0.00 0.42 0.00 0.00 57.03 57.67 1wik h ASP 92 Cb 0.86 0.65 -0.03 0.00 1.72 0.00 0.00 39.33 42.52 1wik h ASP 92 CO -0.09 -0.32 0.09 0.78 -2.88 0.00 0.00 179.24 176.83 1wik h ASN 93 N -0.18 0.09 0.00 2.28 2.35 0.94 -3.47 115.58 117.59 1wik h ASN 93 Ca 0.21 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1wik h ASN 93 Cb 0.56 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1wik h ASN 93 CO -0.71 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 175.76 1wik n GLY 94 N -1.20 1.54 2.35 2.83 0.00 0.40 -5.07 105.19 106.04 1wik n GLY 94 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1wik n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wik n GLU 95 N -0.15 1.38 0.00 1.61 1.02 0.12 -4.83 120.64 119.79 1wik n GLU 95 Ca 0.00 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.52 1wik n GLU 95 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1wik n GLU 95 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1wik n LEU 96 N 0.16 0.93 -0.20 -4.62 7.94 -1.25 -4.49 117.00 115.46 1wik n LEU 96 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1wik n LEU 96 Cb 0.63 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.69 1wik n LEU 96 CO 0.24 0.06 0.97 0.25 -1.11 0.00 0.00 177.39 177.79 1wik h LEU 97 N 0.00 0.18 -0.63 -1.96 7.12 -1.92 1.68 115.31 119.78 1wik h LEU 97 Ca 0.00 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1wik h LEU 97 Cb 0.57 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.78 1wik h LEU 97 CO 0.00 0.10 0.00 1.55 -0.13 0.00 0.00 178.44 179.96 1wik h PRO 98 N 0.37 0.00 0.09 5.25 0.13 -1.90 -0.20 132.00 135.75 1wik h PRO 98 Ca 0.32 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.14 1wik h PRO 98 Cb 0.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 1wik h PRO 98 CO -0.34 0.00 -1.59 0.82 -0.23 0.00 0.00 178.00 176.66 1wik h ILE 99 N 0.00 1.06 0.12 -3.56 1.08 -0.70 -2.61 117.51 112.91 1wik h ILE 99 Ca 0.00 -2.75 -0.01 0.00 -0.39 0.00 0.00 64.86 61.71 1wik h ILE 99 Cb 0.69 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 1wik h ILE 99 CO 0.00 0.78 -0.06 -0.07 -0.69 0.00 0.00 178.15 178.11 1wik h LEU 100 N 0.05 -0.14 -0.18 1.44 4.07 0.24 -3.36 115.31 117.44 1wik h LEU 100 Ca -0.26 -0.34 0.02 0.00 0.08 0.00 0.00 57.88 57.37 1wik h LEU 100 Cb 2.00 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.76 1wik h LEU 100 CO 0.14 0.46 -0.11 0.11 -1.08 0.00 0.00 178.44 177.96 1wik h LYS 101 N -0.95 -0.01 0.00 1.13 1.79 -1.21 -3.46 116.57 113.87 1wik h LYS 101 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1wik h LYS 101 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1wik h LYS 101 CO 0.03 -0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.80 1wik n GLY 102 N -1.05 -0.66 3.45 3.86 0.00 -1.23 -5.01 105.19 104.56 1wik n GLY 102 Ca 0.00 0.47 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 1wik n GLY 102 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wik n GLU 103 N 0.00 -1.42 -4.06 1.61 2.13 -1.02 -4.91 120.64 112.96 1wik n GLU 103 Ca 0.00 0.82 -0.36 0.00 0.66 0.00 0.00 57.16 58.28 1wik n GLU 103 Cb 0.00 -1.81 -0.08 0.00 0.27 0.00 0.00 31.44 29.82 1wik n GLU 103 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1wik s SER 104 N -2.30 5.86 0.00 4.31 0.01 -1.01 -4.88 113.70 115.69 1wik s SER 104 Ca 0.11 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1wik s SER 104 Cb -0.01 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1wik s SER 104 CO 0.76 0.35 0.00 0.61 0.41 0.00 0.00 173.24 175.37 1wik n GLY 105 N 2.37 -0.77 3.55 3.44 0.00 -1.26 -4.88 105.19 107.64 1wik n GLY 105 Ca -0.19 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1wik n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wik s PRO 106 N -0.61 2.96 -0.29 1.61 0.04 -1.26 -4.86 135.00 132.59 1wik s PRO 106 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1wik s PRO 106 Cb 0.00 -4.53 0.19 0.00 0.04 0.00 0.00 34.50 30.20 1wik s PRO 106 CO 0.00 -2.53 0.70 0.45 0.04 0.00 0.00 177.00 175.66 1wik s SER 107 N 6.03 -1.31 0.52 6.66 0.15 -1.26 -5.14 113.70 119.35 1wik s SER 107 Ca 0.53 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1wik s SER 107 Cb -0.08 1.90 0.00 0.00 -1.71 0.00 0.00 66.02 66.13 1wik s SER 107 CO 0.12 -0.24 0.00 -1.20 1.20 0.00 0.00 173.24 173.12 1wik n SER 108 N 5.38 -6.65 -0.70 5.45 7.64 -1.26 -5.19 113.62 118.28 1wik n SER 108 Ca 0.03 1.20 0.13 0.00 1.01 0.00 0.00 58.87 61.25 1wik n SER 108 Cb 0.54 -4.16 0.33 0.00 -1.01 0.00 0.00 64.21 59.91 1wik n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64