#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3p s VAL 11 N 0.00 1.21 -0.19 0.52 1.01 -0.65 -4.03 120.40 118.27 2q3p s VAL 11 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 2q3p s VAL 11 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2q3p s VAL 11 CO 0.00 0.36 0.09 -0.54 0.00 0.00 0.00 175.10 175.01 2q3p s LYS 12 N 0.26 4.07 -0.35 2.72 1.02 -0.83 -0.49 119.74 126.13 2q3p s LYS 12 Ca -0.07 -0.28 -0.15 0.00 0.02 0.00 0.00 55.97 55.48 2q3p s LYS 12 Cb -0.12 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2q3p s LYS 12 CO 0.02 0.29 0.35 -1.58 -0.92 0.00 0.00 175.35 173.52 2q3p s HIS 13 N 0.34 3.21 -0.25 3.18 2.46 0.82 -2.35 115.29 122.70 2q3p s HIS 13 Ca 0.05 -0.08 -0.07 0.00 0.47 0.00 0.00 55.06 55.43 2q3p s HIS 13 Cb -0.12 -2.67 -0.02 0.00 -0.13 0.00 0.00 32.58 29.64 2q3p s HIS 13 CO -0.01 -0.45 0.06 0.08 -2.47 0.00 0.00 174.74 171.96 2q3p s VAL 14 N 1.99 4.21 -0.14 0.89 1.01 0.14 -1.00 120.40 127.49 2q3p s VAL 14 Ca 0.11 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2q3p s VAL 14 Cb -0.17 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2q3p s VAL 14 CO 0.12 0.31 -0.20 -0.22 0.00 0.00 0.00 175.10 175.10 2q3p s LEU 15 N 1.59 2.05 0.03 3.92 0.20 0.62 -1.11 118.68 125.98 2q3p s LEU 15 Ca 0.06 -0.59 0.01 0.00 0.69 0.00 0.00 54.13 54.30 2q3p s LEU 15 Cb -0.15 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.17 2q3p s LEU 15 CO 0.03 0.05 0.11 -0.76 -0.29 0.00 0.00 176.35 175.49 2q3p s LEU 16 N 0.96 3.97 0.12 -0.68 1.43 -0.07 0.22 118.68 124.64 2q3p s LEU 16 Ca -0.04 0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 2q3p s LEU 16 Cb -0.15 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.60 2q3p s LEU 16 CO -0.05 0.23 0.22 0.00 0.23 0.00 0.00 176.35 176.98 2q3p s ALA 17 N -1.31 -0.13 -0.13 4.21 0.00 0.02 -1.65 121.76 122.77 2q3p s ALA 17 Ca 0.27 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 2q3p s ALA 17 Cb -0.12 0.63 0.06 0.00 0.00 0.00 0.00 23.12 23.68 2q3p s ALA 17 CO 0.19 -0.56 0.11 0.45 0.00 0.00 0.00 175.76 175.95 2q3p s SER 18 N -2.90 1.62 0.34 0.00 0.15 -0.84 -1.19 113.70 110.87 2q3p s SER 18 Ca 0.10 -0.22 -0.28 0.00 0.70 0.00 0.00 55.95 56.25 2q3p s SER 18 Cb 0.04 -0.03 -0.09 0.00 -1.71 0.00 0.00 66.02 64.23 2q3p s SER 18 CO -0.07 -0.30 1.18 -0.36 1.20 0.00 0.00 173.24 174.88 2q3p s PHE 19 N 2.20 3.26 0.45 3.44 0.08 -1.26 0.27 117.98 126.41 2q3p s PHE 19 Ca 0.04 1.57 -0.21 0.00 0.12 0.00 0.00 56.93 58.46 2q3p s PHE 19 Cb -0.14 -3.42 -0.10 0.00 -0.57 0.00 0.00 43.02 38.78 2q3p s PHE 19 CO -0.07 -1.16 0.97 -1.59 -0.10 0.00 0.00 175.22 173.27 2q3p s LYS 20 N -1.86 4.14 0.19 0.44 -2.85 -0.21 -4.33 119.74 115.25 2q3p s LYS 20 Ca 0.50 1.15 -0.33 0.00 -1.00 0.00 0.00 55.97 56.29 2q3p s LYS 20 Cb -0.33 -2.16 -0.15 0.00 -2.06 0.00 0.00 37.83 33.13 2q3p s LYS 20 CO 0.43 -0.11 1.30 -0.25 0.10 0.00 0.00 175.35 176.82 2q3p n ASP 21 N -0.76 2.02 0.00 0.03 9.92 -1.26 -2.03 116.55 124.47 2q3p n ASP 21 Ca 0.07 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 2q3p n ASP 21 Cb 0.54 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 2q3p n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2q3p n GLY 22 N 2.24 1.73 3.63 0.44 0.00 -1.26 -5.06 105.19 106.92 2q3p n GLY 22 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2q3p n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q3p s VAL 23 N -1.88 4.87 0.59 1.61 1.01 -0.86 -5.04 120.40 120.70 2q3p s VAL 23 Ca 0.00 1.37 -0.10 0.00 0.00 0.00 0.00 61.98 63.25 2q3p s VAL 23 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2q3p s VAL 23 CO 0.00 -0.08 0.98 -0.94 0.00 0.00 0.00 175.10 175.06 2q3p s SER 24 N 1.43 6.20 0.66 3.32 1.04 -1.26 -4.85 113.70 120.25 2q3p s SER 24 Ca 0.32 1.31 0.43 0.00 0.48 0.00 0.00 55.95 58.49 2q3p s SER 24 Cb -0.15 -2.40 2.36 0.00 0.10 0.00 0.00 66.02 65.93 2q3p s SER 24 CO 0.09 -0.83 2.36 -0.65 0.98 0.00 0.00 173.24 175.18 2q3p h PRO 25 N -0.22 0.00 0.15 4.02 0.11 -1.98 0.16 132.00 134.24 2q3p h PRO 25 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2q3p h PRO 25 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2q3p h PRO 25 CO 0.62 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.27 2q3p h GLU 26 N 0.00 -0.20 -0.02 1.05 3.07 -2.00 -2.12 114.58 114.37 2q3p h GLU 26 Ca -0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2q3p h GLU 26 Cb 0.02 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2q3p h GLU 26 CO 0.00 0.20 0.01 -0.22 -1.40 0.00 0.00 179.01 177.60 2q3p h LYS 27 N -0.68 0.02 -0.47 2.33 1.63 -1.52 -1.92 116.57 115.96 2q3p h LYS 27 Ca -0.02 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 2q3p h LYS 27 Cb 0.50 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.03 2q3p h LYS 27 CO 0.03 0.03 -0.44 0.82 -3.45 0.00 0.00 179.45 176.44 2q3p h ILE 28 N 0.01 0.10 0.00 2.00 2.04 -0.77 0.46 117.51 121.35 2q3p h ILE 28 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2q3p h ILE 28 Cb 0.01 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2q3p h ILE 28 CO -0.00 0.00 -0.07 -0.33 0.00 0.00 0.00 178.15 177.75 2q3p h GLU 29 N -0.29 0.00 -0.26 2.37 4.39 -1.26 -0.28 114.58 119.25 2q3p h GLU 29 Ca 0.15 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 2q3p h GLU 29 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2q3p h GLU 29 CO -0.62 0.07 -0.39 1.49 -1.16 0.00 0.00 179.01 178.41 2q3p h GLU 30 N 0.00 0.60 -0.00 2.33 4.81 0.54 -2.62 114.58 120.24 2q3p h GLU 30 Ca -0.00 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 58.77 2q3p h GLU 30 Cb 0.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2q3p h GLU 30 CO 0.01 0.89 -0.76 -0.07 -0.73 0.00 0.00 179.01 178.34 2q3p h LEU 31 N 0.49 0.05 -0.42 1.64 3.38 0.11 -3.17 115.31 117.40 2q3p h LEU 31 Ca 0.05 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2q3p h LEU 31 Cb 0.89 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2q3p h LEU 31 CO 0.08 0.79 -0.64 0.40 0.09 0.00 0.00 178.44 179.16 2q3p h ILE 32 N 0.02 1.33 -0.57 1.22 2.04 -1.18 -2.13 117.51 118.24 2q3p h ILE 32 Ca -0.01 -1.94 -0.10 0.00 1.00 0.00 0.00 64.86 63.81 2q3p h ILE 32 Cb 1.35 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 2q3p h ILE 32 CO 0.10 0.60 -0.05 0.11 0.00 0.00 0.00 178.15 178.91 2q3p h LYS 33 N 0.40 1.05 -0.39 2.37 1.57 -1.51 -1.74 116.57 118.32 2q3p h LYS 33 Ca -0.01 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 2q3p h LYS 33 Cb 1.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2q3p h LYS 33 CO 0.12 1.05 -0.02 0.78 -0.57 0.00 0.00 179.45 180.81 2q3p h GLY 34 N 0.93 0.76 0.73 3.86 0.00 -1.52 -0.76 103.07 107.07 2q3p h GLY 34 Ca 0.16 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.93 2q3p h GLY 34 CO 0.04 0.53 -0.07 -1.82 0.00 0.00 0.00 176.54 175.21 2q3p h TYR 35 N 0.52 -0.18 0.00 5.60 -0.00 -1.31 0.85 116.97 122.45 2q3p h TYR 35 Ca 0.11 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.85 2q3p h TYR 35 Cb 0.51 0.09 -0.00 0.00 -0.00 0.00 0.00 36.73 37.33 2q3p h TYR 35 CO 0.04 -0.12 -0.01 0.00 -0.00 0.00 0.00 178.16 178.07 2q3p h ALA 36 N 0.95 1.37 0.00 1.82 0.00 -1.21 -0.83 119.26 121.37 2q3p h ALA 36 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2q3p h ALA 36 Cb 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2q3p h ALA 36 CO -0.12 0.02 -0.25 -0.97 0.00 0.00 0.00 179.25 177.92 2q3p h ASN 37 N 0.00 0.00 0.00 0.00 -1.24 0.71 -2.97 115.58 112.08 2q3p h ASN 37 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2q3p h ASN 37 Cb 0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2q3p h ASN 37 CO 0.00 0.25 0.01 0.18 -1.29 0.00 0.00 177.43 176.58 2q3p n LEU 38 N -3.34 0.38 0.06 0.34 4.77 -0.32 0.23 117.00 119.12 2q3p n LEU 38 Ca 0.01 0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 56.65 2q3p n LEU 38 Cb 0.48 -0.72 0.26 0.00 -2.33 0.00 0.00 43.42 41.11 2q3p n LEU 38 CO 0.34 -0.81 0.77 0.58 -1.33 0.00 0.00 177.39 176.95 2q3p h VAL 39 N 0.00 1.25 0.07 4.08 2.07 -1.69 -0.54 116.25 121.48 2q3p h VAL 39 Ca 0.00 -1.17 -0.28 0.00 0.82 0.00 0.00 66.70 66.07 2q3p h VAL 39 Cb 0.01 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2q3p h VAL 39 CO 0.00 0.36 -1.41 0.78 0.02 0.00 0.00 177.57 177.33 2q3p h ASN 40 N 0.32 0.22 1.11 0.57 2.35 -0.45 -3.38 115.58 116.32 2q3p h ASN 40 Ca 0.05 -0.30 -0.09 0.00 -0.55 0.00 0.00 56.30 55.42 2q3p h ASN 40 Cb 0.60 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2q3p h ASN 40 CO 0.04 1.25 -0.93 -0.07 -1.65 0.00 0.00 177.43 176.06 2q3p h LEU 41 N 0.04 0.00 -7.12 1.61 3.38 -1.32 -3.43 115.31 108.47 2q3p h LEU 41 Ca -0.18 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.16 2q3p h LEU 41 Cb 1.95 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.29 2q3p h LEU 41 CO 0.14 0.33 -0.67 -0.63 0.09 0.00 0.00 178.44 177.70 2q3p s ILE 42 N -3.09 2.13 0.00 1.22 1.01 -0.23 -5.02 121.20 117.22 2q3p s ILE 42 Ca 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 60.65 57.40 2q3p s ILE 42 Cb 0.08 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2q3p s ILE 42 CO 0.77 -0.91 0.00 1.21 0.00 0.00 0.00 174.94 176.02 2q3p n GLU 43 N 2.97 0.00 -0.44 2.79 4.07 -1.26 -4.79 120.64 123.98 2q3p n GLU 43 Ca 0.11 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.82 2q3p n GLU 43 Cb 0.34 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.62 2q3p n GLU 43 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2q3p n PRO 44 N -3.41 0.00 0.00 5.31 -0.04 -1.26 -5.07 135.00 130.53 2q3p n PRO 44 Ca 0.00 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2q3p n PRO 44 Cb 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 2q3p n PRO 44 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2q3p n LYS 46 N 7.57 0.00 -1.37 0.54 4.76 -0.71 -4.58 118.16 124.36 2q3p n LYS 46 Ca 0.41 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2q3p n LYS 46 Cb 0.37 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 2q3p n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2q3p n ALA 47 N 0.00 -0.10 -3.64 7.82 0.00 -1.25 -4.98 120.51 118.35 2q3p n ALA 47 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 2q3p n ALA 47 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 2q3p n ALA 47 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2q3p s PHE 48 N -6.95 -0.45 0.01 0.00 5.36 -1.26 -3.79 117.98 110.89 2q3p s PHE 48 Ca 0.01 0.96 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 2q3p s PHE 48 Cb -0.00 0.33 -0.01 0.00 -0.34 0.00 0.00 43.02 43.00 2q3p s PHE 48 CO 0.00 -0.22 0.00 -1.01 -1.46 0.00 0.00 175.22 172.53 2q3p s HIS 49 N 0.93 0.10 0.06 10.12 3.76 -0.78 -5.02 115.29 124.46 2q3p s HIS 49 Ca -0.05 -0.20 -0.05 0.00 -0.15 0.00 0.00 55.06 54.61 2q3p s HIS 49 Cb -0.04 -0.08 -0.02 0.00 1.11 0.00 0.00 32.58 33.56 2q3p s HIS 49 CO -0.12 -0.09 0.09 1.67 -0.85 0.00 0.00 174.74 175.44 2q3p s TRP 50 N -0.64 0.27 -0.27 1.40 1.48 -1.26 -1.12 118.94 118.79 2q3p s TRP 50 Ca -0.07 -0.69 -0.22 0.00 -1.06 0.00 0.00 56.10 54.06 2q3p s TRP 50 Cb -0.04 -0.18 0.08 0.00 -1.16 0.00 0.00 33.47 32.16 2q3p s TRP 50 CO -0.00 -0.43 0.75 0.20 -4.06 0.00 0.00 176.95 173.40 2q3p s GLY 51 N -2.60 -0.52 0.18 3.67 0.00 -0.67 -5.01 107.32 102.36 2q3p s GLY 51 Ca 0.02 2.23 -0.26 0.00 0.00 0.00 0.00 44.72 46.71 2q3p s GLY 51 CO -0.08 1.97 0.80 1.25 0.00 0.00 0.00 173.10 177.03 2q3p s LYS 52 N 0.75 4.60 0.34 2.90 2.20 -1.26 -0.83 119.74 128.45 2q3p s LYS 52 Ca -0.03 1.20 -0.26 0.00 -0.36 0.00 0.00 55.97 56.52 2q3p s LYS 52 Cb -0.05 -3.26 -0.13 0.00 -1.51 0.00 0.00 37.83 32.88 2q3p s LYS 52 CO -0.06 0.57 0.93 -3.47 -0.36 0.00 0.00 175.35 172.96 2q3p n ASP 53 N 1.57 0.92 -0.10 1.43 2.03 0.52 -4.90 116.55 118.02 2q3p n ASP 53 Ca -0.05 1.10 0.01 0.00 0.52 0.00 0.00 54.79 56.37 2q3p n ASP 53 Cb 0.48 -1.27 0.02 0.00 -0.72 0.00 0.00 41.12 39.63 2q3p n ASP 53 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2q3p n VAL 54 N -0.14 0.51 -0.87 5.18 0.24 -1.26 -5.01 118.33 116.97 2q3p n VAL 54 Ca 0.10 -0.56 -0.31 0.00 -2.04 0.00 0.00 64.34 61.54 2q3p n VAL 54 Cb 0.35 0.62 0.16 0.00 -1.47 0.00 0.00 33.84 33.49 2q3p n VAL 54 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2q3p s SER 55 N -0.81 3.13 0.00 -1.34 1.04 -1.26 -4.98 113.70 109.48 2q3p s SER 55 Ca 0.04 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.41 2q3p s SER 55 Cb 0.03 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2q3p s SER 55 CO 0.00 -2.93 0.34 -0.38 0.98 0.00 0.00 173.24 171.26 2q3p n ILE 56 N -4.10 0.12 0.45 -1.02 5.41 -1.26 -4.78 119.36 114.17 2q3p n ILE 56 Ca 0.10 -0.24 0.13 0.00 1.00 0.00 0.00 62.75 63.74 2q3p n ILE 56 Cb 0.53 1.37 0.37 0.00 -0.71 0.00 0.00 39.64 41.20 2q3p n ILE 56 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2q3p h GLU 57 N 0.00 0.00 -4.29 0.38 5.08 -2.06 -3.47 114.58 110.21 2q3p h GLU 57 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2q3p h GLU 57 Cb 0.49 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.84 2q3p h GLU 57 CO 0.00 0.00 -0.48 -1.71 -1.00 0.00 0.00 179.01 175.82 2q3p n ASN 58 N -2.57 -2.60 -0.05 1.42 5.15 -1.26 -4.94 115.26 110.40 2q3p n ASN 58 Ca 0.04 -0.39 0.01 0.00 -0.60 0.00 0.00 54.58 53.65 2q3p n ASN 58 Cb 0.42 -3.45 0.01 0.00 -0.53 0.00 0.00 39.78 36.23 2q3p n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2q3p n LEU 59 N -3.08 1.05 0.00 1.20 4.77 -1.26 -4.80 117.00 114.87 2q3p n LEU 59 Ca -0.15 -1.21 0.08 0.00 -0.03 0.00 0.00 56.01 54.70 2q3p n LEU 59 Cb 0.59 -0.04 0.43 0.00 -2.33 0.00 0.00 43.42 42.08 2q3p n LEU 59 CO 0.40 0.30 0.75 0.00 -1.33 0.00 0.00 177.39 177.50 2q3p n HIS 60 N -0.34 0.00 -1.69 -1.77 1.44 -1.26 -4.88 115.22 106.71 2q3p n HIS 60 Ca 0.02 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.57 2q3p n HIS 60 Cb 0.43 -0.28 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 2q3p n HIS 60 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2q3p n GLN 61 N -1.28 -1.50 -0.46 -1.40 1.13 -1.26 -0.94 117.38 111.66 2q3p n GLN 61 Ca 0.08 0.90 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 2q3p n GLN 61 Cb 0.13 -5.28 0.00 0.00 0.11 0.00 0.00 30.24 25.21 2q3p n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2q3p n GLY 62 N -0.44 0.92 3.70 1.08 0.00 -1.26 -5.03 105.19 104.15 2q3p n GLY 62 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2q3p n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q3p s TYR 63 N -3.02 3.54 -0.09 1.61 2.02 -0.12 -4.70 117.35 116.59 2q3p s TYR 63 Ca 0.00 1.41 0.19 0.00 -0.37 0.00 0.00 57.07 58.30 2q3p s TYR 63 Cb 0.00 -3.00 -0.29 0.00 -0.40 0.00 0.00 41.96 38.27 2q3p s TYR 63 CO 0.00 -0.09 0.30 0.25 -1.57 0.00 0.00 175.55 174.44 2q3p n THR 64 N 4.23 0.54 -4.19 -0.71 -2.24 -0.33 -4.75 114.28 106.83 2q3p n THR 64 Ca 0.04 -0.62 -0.18 0.00 -2.27 0.00 0.00 64.05 61.02 2q3p n THR 64 Cb 0.50 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.42 2q3p n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2q3p s HIS 65 N -3.04 1.10 -0.06 4.78 3.76 -0.76 0.19 115.29 121.26 2q3p s HIS 65 Ca -0.08 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 2q3p s HIS 65 Cb 0.10 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 33.17 2q3p s HIS 65 CO 0.83 0.03 -0.14 -1.50 -0.85 0.00 0.00 174.74 173.11 2q3p s ILE 66 N -1.16 1.27 -0.07 0.60 2.07 -0.01 -0.80 121.20 123.10 2q3p s ILE 66 Ca -0.02 -0.57 0.04 0.00 -1.41 0.00 0.00 60.65 58.69 2q3p s ILE 66 Cb -0.09 -1.14 -0.00 0.00 0.13 0.00 0.00 42.46 41.36 2q3p s ILE 66 CO 0.02 0.38 -0.21 -0.36 -1.91 0.00 0.00 174.94 172.86 2q3p s PHE 67 N 0.53 2.16 -0.16 3.50 0.08 0.13 -1.67 117.98 122.55 2q3p s PHE 67 Ca -0.13 -0.76 0.01 0.00 0.12 0.00 0.00 56.93 56.16 2q3p s PHE 67 Cb -0.15 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2q3p s PHE 67 CO 0.04 -0.29 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.73 2q3p s GLU 68 N 0.21 2.36 -0.16 0.44 2.12 -0.28 -0.28 118.70 123.12 2q3p s GLU 68 Ca -0.11 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 54.55 2q3p s GLU 68 Cb -0.15 -2.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.98 2q3p s GLU 68 CO 0.05 -0.27 -0.11 -1.54 -0.54 0.00 0.00 175.26 172.85 2q3p s SER 69 N 1.43 3.99 -0.02 -1.70 1.04 -0.17 -1.86 113.70 116.41 2q3p s SER 69 Ca 0.04 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 2q3p s SER 69 Cb -0.14 -1.63 -0.06 0.00 0.10 0.00 0.00 66.02 64.30 2q3p s SER 69 CO -0.11 0.10 0.42 -0.89 0.98 0.00 0.00 173.24 173.74 2q3p s THR 70 N 0.76 5.05 0.29 2.02 2.01 -1.25 -0.12 115.64 124.39 2q3p s THR 70 Ca -0.05 0.85 0.02 0.00 0.31 0.00 0.00 61.69 62.83 2q3p s THR 70 Cb -0.15 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 2q3p s THR 70 CO 0.01 0.55 0.11 -0.36 -0.69 0.00 0.00 174.62 174.23 2q3p s PHE 71 N -0.84 1.64 -0.95 4.92 0.08 0.35 -1.75 117.98 121.43 2q3p s PHE 71 Ca 0.24 -1.20 0.18 0.00 0.12 0.00 0.00 56.93 56.27 2q3p s PHE 71 Cb -0.16 -0.97 -0.17 0.00 -0.57 0.00 0.00 43.02 41.14 2q3p s PHE 71 CO 0.13 -0.32 0.78 0.39 -0.10 0.00 0.00 175.22 176.10 2q3p n GLU 72 N -0.56 1.18 -3.53 0.44 1.02 -1.26 -1.64 120.64 116.29 2q3p n GLU 72 Ca -0.01 -0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 2q3p n GLU 72 Cb 0.66 -1.34 -0.04 0.00 -0.02 0.00 0.00 31.44 30.69 2q3p n GLU 72 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2q3p s SER 73 N -2.61 -0.47 0.45 1.62 1.04 -1.26 -3.50 113.70 108.98 2q3p s SER 73 Ca 0.08 0.36 0.12 0.00 0.48 0.00 0.00 55.95 56.99 2q3p s SER 73 Cb 0.14 0.41 1.02 0.00 0.10 0.00 0.00 66.02 67.69 2q3p s SER 73 CO 0.70 -0.53 2.04 0.50 0.98 0.00 0.00 173.24 176.92 2q3p h LYS 74 N 2.50 0.16 -0.01 4.02 3.64 -1.95 -0.25 116.57 124.67 2q3p h LYS 74 Ca -0.23 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 2q3p h LYS 74 Cb 1.19 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2q3p h LYS 74 CO 0.34 0.20 -0.34 0.93 -2.27 0.00 0.00 179.45 178.30 2q3p h GLU 75 N 0.16 0.02 0.00 1.90 3.07 -2.00 -2.38 114.58 115.35 2q3p h GLU 75 Ca 0.04 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.74 2q3p h GLU 75 Cb 0.15 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2q3p h GLU 75 CO 0.00 0.36 -0.71 0.00 -1.40 0.00 0.00 179.01 177.27 2q3p h ALA 76 N 1.64 0.82 -0.06 3.43 0.00 -1.44 -2.19 119.26 121.46 2q3p h ALA 76 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2q3p h ALA 76 Cb 0.61 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2q3p h ALA 76 CO 0.04 0.89 0.01 0.28 0.00 0.00 0.00 179.25 180.47 2q3p h VAL 77 N 0.00 1.20 -0.42 0.00 2.07 -1.01 -0.72 116.25 117.38 2q3p h VAL 77 Ca -0.01 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2q3p h VAL 77 Cb 1.26 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 2q3p h VAL 77 CO 0.09 0.17 0.23 0.00 0.02 0.00 0.00 177.57 178.08 2q3p h ALA 78 N 0.79 1.62 -0.05 1.67 0.00 -1.43 0.51 119.26 122.38 2q3p h ALA 78 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2q3p h ALA 78 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2q3p h ALA 78 CO 0.00 0.32 -0.31 0.93 0.00 0.00 0.00 179.25 180.19 2q3p h GLU 79 N 0.57 0.09 -0.06 0.00 5.08 -0.92 -1.81 114.58 117.53 2q3p h GLU 79 Ca 0.15 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2q3p h GLU 79 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2q3p h GLU 79 CO -0.03 0.40 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.28 2q3p h TYR 80 N 0.08 0.29 -0.86 4.33 3.20 0.56 -2.75 116.97 121.82 2q3p h TYR 80 Ca 0.01 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.80 2q3p h TYR 80 Cb 0.60 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 2q3p h TYR 80 CO 0.00 0.80 0.56 0.82 -1.64 0.00 0.00 178.16 178.71 2q3p h ILE 81 N -0.30 1.12 0.00 1.81 1.08 -0.91 -2.05 117.51 118.25 2q3p h ILE 81 Ca -0.01 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 2q3p h ILE 81 Cb 0.81 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2q3p h ILE 81 CO 0.04 0.19 -0.06 0.00 -0.69 0.00 0.00 178.15 177.63 2q3p h ALA 82 N 1.51 0.97 -2.71 1.87 0.00 -1.38 -3.44 119.26 116.09 2q3p h ALA 82 Ca 0.35 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.67 2q3p h ALA 82 Cb 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 17.93 2q3p h ALA 82 CO -0.11 0.08 0.93 1.58 0.00 0.00 0.00 179.25 181.72 2q3p n HIS 83 N -3.13 2.79 0.24 0.00 -0.00 -0.77 -4.91 115.22 109.44 2q3p n HIS 83 Ca 0.03 0.17 0.08 0.00 -0.00 0.00 0.00 57.72 58.00 2q3p n HIS 83 Cb 0.48 -2.62 0.60 0.00 -0.00 0.00 0.00 29.99 28.45 2q3p n HIS 83 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2q3p h PRO 84 N 5.58 0.00 0.00 1.57 0.13 -1.89 -1.85 132.00 135.54 2q3p h PRO 84 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2q3p h PRO 84 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2q3p h PRO 84 CO 0.86 0.13 -0.05 0.00 -0.23 0.00 0.00 178.00 178.71 2q3p h ALA 85 N 1.87 1.01 0.17 -0.56 0.00 -1.93 -2.52 119.26 117.30 2q3p h ALA 85 Ca -0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 2q3p h ALA 85 Cb 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2q3p h ALA 85 CO 0.02 0.06 -1.51 1.25 0.00 0.00 0.00 179.25 179.07 2q3p h HIS 86 N 0.00 0.64 -0.73 0.00 -0.00 -1.62 -2.79 115.15 110.65 2q3p h HIS 86 Ca -0.00 -0.47 0.01 0.00 -0.00 0.00 0.00 60.37 59.92 2q3p h HIS 86 Cb 0.55 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.89 2q3p h HIS 86 CO 0.00 1.46 0.48 0.28 -0.00 0.00 0.00 177.93 180.15 2q3p h VAL 87 N 0.10 1.16 0.02 5.26 2.07 -1.22 0.19 116.25 123.83 2q3p h VAL 87 Ca -0.25 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2q3p h VAL 87 Cb 2.06 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2q3p h VAL 87 CO 0.20 0.18 -0.01 -0.08 0.02 0.00 0.00 177.57 177.88 2q3p h GLU 88 N 0.97 -0.03 -0.02 1.57 4.81 -1.59 -3.09 114.58 117.19 2q3p h GLU 88 Ca 0.28 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 2q3p h GLU 88 Cb -0.08 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2q3p h GLU 88 CO -0.07 0.51 -0.23 0.35 -0.73 0.00 0.00 179.01 178.84 2q3p h PHE 89 N -0.60 0.04 -0.14 0.92 3.57 -1.37 -2.81 116.94 116.55 2q3p h PHE 89 Ca -0.00 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.33 2q3p h PHE 89 Cb 0.56 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2q3p h PHE 89 CO 0.12 0.27 -0.59 0.00 -2.23 0.00 0.00 178.31 175.87 2q3p h ALA 90 N 1.73 0.71 -0.49 2.41 0.00 -0.69 -1.23 119.26 121.71 2q3p h ALA 90 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2q3p h ALA 90 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2q3p h ALA 90 CO 0.03 0.70 0.32 1.15 0.00 0.00 0.00 179.25 181.45 2q3p h THR 91 N 0.35 1.13 -0.10 0.00 2.02 -1.41 0.25 112.91 115.16 2q3p h THR 91 Ca -0.00 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2q3p h THR 91 Cb 1.13 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2q3p h THR 91 CO 0.11 0.13 -0.03 0.40 0.37 0.00 0.00 175.52 176.50 2q3p h ILE 92 N 0.66 1.30 0.57 3.11 2.04 -1.46 -1.74 117.51 121.99 2q3p h ILE 92 Ca 0.18 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2q3p h ILE 92 Cb -0.06 1.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2q3p h ILE 92 CO -0.04 0.28 -0.27 0.15 0.00 0.00 0.00 178.15 178.27 2q3p h PHE 93 N -0.14 -0.70 0.00 1.37 3.57 -1.03 -2.98 116.94 117.02 2q3p h PHE 93 Ca 0.02 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2q3p h PHE 93 Cb 0.45 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2q3p h PHE 93 CO 0.06 -0.37 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.67 2q3p h LEU 94 N -1.04 0.00 -1.85 0.59 3.38 -0.63 -1.23 115.31 114.53 2q3p h LEU 94 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2q3p h LEU 94 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2q3p h LEU 94 CO 0.13 0.03 -0.13 1.23 0.09 0.00 0.00 178.44 179.78 2q3p h GLY 95 N 0.40 0.00 -2.65 0.83 0.00 -1.15 -2.43 103.07 98.06 2q3p h GLY 95 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2q3p h GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 2q3p n SER 96 N -3.66 4.19 -4.88 0.19 7.64 -0.47 -4.98 113.62 111.65 2q3p n SER 96 Ca -0.02 -2.23 -0.37 0.00 1.01 0.00 0.00 58.87 57.27 2q3p n SER 96 Cb 0.25 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 2q3p n SER 96 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2q3p s LEU 97 N -1.43 4.39 -0.13 -3.43 1.43 -0.92 -1.04 118.68 117.55 2q3p s LEU 97 Ca 0.47 0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.99 2q3p s LEU 97 Cb 0.28 -2.20 -0.26 0.00 0.03 0.00 0.00 46.19 44.04 2q3p s LEU 97 CO 0.27 0.38 0.35 -0.67 0.23 0.00 0.00 176.35 176.90 2q3p n ASP 98 N 1.80 2.11 -4.10 2.29 4.64 0.77 -4.50 116.55 119.56 2q3p n ASP 98 Ca -0.18 0.22 -0.10 0.00 -1.38 0.00 0.00 54.79 53.34 2q3p n ASP 98 Cb 0.54 -0.86 -0.10 0.00 -1.04 0.00 0.00 41.12 39.65 2q3p n ASP 98 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2q3p s LYS 99 N -2.55 0.65 -0.18 -0.67 1.02 -0.48 -4.96 119.74 112.57 2q3p s LYS 99 Ca -0.23 -1.08 -0.21 0.00 0.02 0.00 0.00 55.97 54.47 2q3p s LYS 99 Cb 0.07 -0.09 0.06 0.00 -0.52 0.00 0.00 37.83 37.34 2q3p s LYS 99 CO 0.76 -0.03 0.57 0.54 -0.92 0.00 0.00 175.35 176.27 2q3p s VAL 100 N -2.88 0.00 -0.04 3.17 0.11 -1.26 -1.99 120.40 117.52 2q3p s VAL 100 Ca 0.02 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.02 2q3p s VAL 100 Cb 0.00 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 2q3p s VAL 100 CO -0.04 -0.02 0.09 -0.22 -3.33 0.00 0.00 175.10 171.58 2q3p s LEU 101 N 0.01 1.16 -0.16 2.54 0.20 -0.66 -4.97 118.68 116.80 2q3p s LEU 101 Ca -0.02 0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.99 2q3p s LEU 101 Cb -0.04 0.21 0.02 0.00 -0.43 0.00 0.00 46.19 45.94 2q3p s LEU 101 CO 0.02 -0.10 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.09 2q3p s VAL 102 N 0.75 1.99 -0.03 1.68 1.01 -1.26 -0.89 120.40 123.65 2q3p s VAL 102 Ca -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2q3p s VAL 102 Cb -0.08 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2q3p s VAL 102 CO -0.03 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 174.94 2q3p s ILE 103 N 1.09 0.38 0.02 2.22 1.01 -0.27 -5.01 121.20 120.64 2q3p s ILE 103 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.65 2q3p s ILE 103 Cb -0.14 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 2q3p s ILE 103 CO -0.07 0.18 -0.18 -1.81 0.00 0.00 0.00 174.94 173.05 2q3p s ASP 104 N 0.80 2.19 0.09 3.58 1.01 -1.26 0.25 116.67 123.33 2q3p s ASP 104 Ca -0.09 -0.43 -0.10 0.00 0.71 0.00 0.00 52.55 52.64 2q3p s ASP 104 Cb -0.13 -0.20 0.01 0.00 1.01 0.00 0.00 42.92 43.61 2q3p s ASP 104 CO -0.00 0.17 0.23 -0.72 0.21 0.00 0.00 175.17 175.05 2q3p s TYR 105 N -0.65 0.08 -0.35 4.23 -0.00 -0.99 -4.99 117.35 114.69 2q3p s TYR 105 Ca 0.06 -0.49 -0.15 0.00 -0.00 0.00 0.00 57.07 56.50 2q3p s TYR 105 Cb -0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 41.96 41.87 2q3p s TYR 105 CO 0.01 -0.57 0.36 0.15 -0.00 0.00 0.00 175.55 175.50 2q3p s LYS 106 N -3.80 3.50 -0.16 -3.49 1.02 -1.26 -1.96 119.74 113.60 2q3p s LYS 106 Ca 0.04 -0.48 -0.41 0.00 0.02 0.00 0.00 55.97 55.14 2q3p s LYS 106 Cb 0.04 -3.82 -0.18 0.00 -0.52 0.00 0.00 37.83 33.35 2q3p s LYS 106 CO -0.11 -0.55 1.44 -2.30 -0.92 0.00 0.00 175.35 172.91 2q3p n PRO 107 N 5.37 0.65 -4.07 -1.68 -0.02 -1.26 -4.97 135.00 129.03 2q3p n PRO 107 Ca -0.09 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 2q3p n PRO 107 Cb 0.49 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 32.03 2q3p n PRO 107 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2q3p s THR 108 N 1.74 0.56 0.27 3.45 2.01 -1.26 -5.07 115.64 117.34 2q3p s THR 108 Ca 0.94 -1.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.72 2q3p s THR 108 Cb -1.17 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 70.72 2q3p s THR 108 CO 0.62 -0.36 0.57 -0.94 -0.69 0.00 0.00 174.62 173.82 2q3p s SER 109 N -1.54 -0.10 -0.82 3.53 1.04 -1.26 -5.08 113.70 109.47 2q3p s SER 109 Ca -0.09 -0.86 -0.26 0.00 0.48 0.00 0.00 55.95 55.22 2q3p s SER 109 Cb -0.10 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.70 2q3p s SER 109 CO 0.00 -1.24 1.41 -0.69 0.98 0.00 0.00 173.24 173.70 2q3p s VAL 110 N -3.86 3.74 0.18 5.02 1.01 -1.26 -4.94 120.40 120.29 2q3p s VAL 110 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2q3p s VAL 110 Cb -0.03 -4.84 -0.05 0.00 0.00 0.00 0.00 36.38 31.46 2q3p s VAL 110 CO 0.09 -1.77 -0.03 -0.94 0.00 0.00 0.00 175.10 172.45 2q3p s SER 111 N 4.66 1.52 0.00 3.32 1.04 -1.26 -5.38 113.70 117.59 2q3p s SER 111 Ca 0.42 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2q3p s SER 111 Cb -0.06 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.14 2q3p s SER 111 CO 0.07 -0.49 0.57 0.18 0.98 0.00 0.00 173.24 174.55