#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puk n VAL 9 N 0.00 -3.36 -4.28 2.62 0.31 -1.26 -4.97 118.33 107.39 2puk n VAL 9 Ca 0.00 1.32 -0.33 0.00 -0.01 0.00 0.00 64.34 65.32 2puk n VAL 9 Cb 0.00 -2.10 -0.09 0.00 -0.91 0.00 0.00 33.84 30.75 2puk n VAL 9 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2puk s GLN 10 N -3.57 2.81 0.38 5.55 0.74 -1.25 -4.88 119.66 119.43 2puk s GLN 10 Ca 0.00 -0.60 -0.24 0.00 0.05 0.00 0.00 55.36 54.57 2puk s GLN 10 Cb 0.00 -2.68 -0.09 0.00 1.10 0.00 0.00 33.01 31.33 2puk s GLN 10 CO 0.00 0.63 1.01 -0.51 -0.55 0.00 0.00 175.29 175.86 2puk s ASP 11 N -1.54 6.95 0.03 6.67 1.11 -1.26 -2.13 116.67 126.51 2puk s ASP 11 Ca 0.19 1.94 0.01 0.00 0.18 0.00 0.00 52.55 54.87 2puk s ASP 11 Cb -0.12 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.28 2puk s ASP 11 CO 0.10 -0.35 -0.06 0.54 1.18 0.00 0.00 175.17 176.58 2puk s VAL 12 N -1.71 0.40 0.00 -1.27 0.11 -0.87 -4.91 120.40 112.15 2puk s VAL 12 Ca 0.56 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 2puk s VAL 12 Cb -0.19 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2puk s VAL 12 CO 0.25 -0.34 0.00 -0.46 -3.33 0.00 0.00 175.10 171.22 2puk n ASN 13 N 1.73 0.00 0.09 3.54 0.23 -1.26 -4.39 115.26 115.20 2puk n ASN 13 Ca -0.21 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 53.89 2puk n ASN 13 Cb 0.55 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.75 2puk n ASN 13 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2puk h ASP 14 N 0.00 0.31 0.03 0.53 3.32 -1.91 -1.73 116.42 116.97 2puk h ASP 14 Ca 0.00 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 2puk h ASP 14 Cb 0.00 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.48 2puk h ASP 14 CO 0.00 0.23 -0.48 0.28 -1.72 0.00 0.00 179.24 177.55 2puk h SER 15 N 0.37 0.38 0.26 6.45 0.02 -2.00 -3.38 113.55 115.64 2puk h SER 15 Ca 0.10 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2puk h SER 15 Cb -0.04 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2puk h SER 15 CO -0.02 1.15 -0.66 -1.54 -1.14 0.00 0.00 176.83 174.62 2puk n SER 16 N -4.32 0.84 -0.15 3.07 3.41 -1.15 -4.47 113.62 110.84 2puk n SER 16 Ca -0.11 -0.67 -0.04 0.00 -0.26 0.00 0.00 58.87 57.79 2puk n SER 16 Cb 0.63 0.53 0.02 0.00 -0.26 0.00 0.00 64.21 65.13 2puk n SER 16 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2puk h TRP 17 N 0.28 -0.46 -0.39 7.33 2.91 -1.50 0.53 115.95 124.64 2puk h TRP 17 Ca 0.00 0.05 0.06 0.00 1.13 0.00 0.00 58.89 60.13 2puk h TRP 17 Cb 0.52 0.27 -0.06 0.00 -0.51 0.00 0.00 29.16 29.39 2puk h TRP 17 CO 0.00 -0.27 0.06 0.87 -1.03 0.00 0.00 178.44 178.07 2puk h LYS 18 N -0.09 0.18 0.07 2.65 1.79 -1.87 -1.33 116.57 117.97 2puk h LYS 18 Ca 0.22 -0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.45 2puk h LYS 18 Cb 0.43 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.06 2puk h LYS 18 CO -0.53 0.12 -0.94 1.49 -1.08 0.00 0.00 179.45 178.51 2puk h GLU 19 N 0.18 0.51 -0.05 3.15 4.81 -1.75 -2.52 114.58 118.92 2puk h GLU 19 Ca 0.19 -0.65 -0.23 0.00 -0.13 0.00 0.00 59.36 58.54 2puk h GLU 19 Cb 0.24 0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.83 2puk h GLU 19 CO -0.27 1.26 -0.90 0.74 -0.73 0.00 0.00 179.01 179.11 2puk h PHE 20 N 0.06 0.87 0.00 0.92 -1.00 -0.83 -3.37 116.94 113.59 2puk h PHE 20 Ca -0.14 -0.44 0.00 0.00 2.81 0.00 0.00 57.97 60.20 2puk h PHE 20 Cb 1.65 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 41.09 2puk h PHE 20 CO 0.14 1.26 -0.32 0.28 -1.61 0.00 0.00 178.31 178.05 2puk n VAL 21 N -3.84 1.22 0.24 -0.55 0.31 -0.51 -4.56 118.33 110.64 2puk n VAL 21 Ca -0.08 0.30 0.09 0.00 -0.01 0.00 0.00 64.34 64.64 2puk n VAL 21 Cb 0.81 -1.80 0.61 0.00 -0.91 0.00 0.00 33.84 32.55 2puk n VAL 21 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2puk h LEU 22 N -0.32 0.00 -5.68 7.52 3.38 -1.54 -3.14 115.31 115.53 2puk h LEU 22 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2puk h LEU 22 Cb 0.32 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.66 2puk h LEU 22 CO 0.00 0.15 -0.67 -0.62 0.09 0.00 0.00 178.44 177.40 2puk n GLU 23 N -4.03 2.79 -4.53 1.13 1.02 -0.95 -3.15 120.64 112.91 2puk n GLU 23 Ca -0.02 -4.67 -0.34 0.00 -0.02 0.00 0.00 57.16 52.11 2puk n GLU 23 Cb 0.24 -2.19 -0.11 0.00 -0.02 0.00 0.00 31.44 29.36 2puk n GLU 23 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2puk s SER 24 N -2.99 4.76 0.00 1.62 0.15 -1.19 -4.76 113.70 111.30 2puk s SER 24 Ca 0.45 -0.04 0.10 0.00 0.70 0.00 0.00 55.95 57.15 2puk s SER 24 Cb 0.23 -1.41 0.55 0.00 -1.71 0.00 0.00 66.02 63.68 2puk s SER 24 CO -0.09 0.30 1.05 -0.62 1.20 0.00 0.00 173.24 175.08 2puk n GLU 25 N 2.64 0.27 -3.62 5.44 -0.58 -1.26 -4.63 120.64 118.89 2puk n GLU 25 Ca -0.18 0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.46 2puk n GLU 25 Cb 0.53 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.84 2puk n GLU 25 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2puk s VAL 26 N -2.12 0.04 0.26 2.62 0.11 -1.26 -5.07 120.40 114.97 2puk s VAL 26 Ca 0.13 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 2puk s VAL 26 Cb 0.07 -0.91 -0.14 0.00 -1.53 0.00 0.00 36.38 33.86 2puk s VAL 26 CO 0.12 -0.17 1.16 -2.65 -3.33 0.00 0.00 175.10 170.23 2puk n PRO 27 N 0.67 1.54 -4.44 1.54 -0.02 -1.26 -4.71 135.00 128.32 2puk n PRO 27 Ca -0.19 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2puk n PRO 27 Cb 0.59 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 2puk n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2puk s VAL 28 N -0.64 3.89 -0.31 -1.45 1.01 0.20 -2.18 120.40 120.92 2puk s VAL 28 Ca 0.64 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2puk s VAL 28 Cb -0.71 -2.67 0.10 0.00 0.00 0.00 0.00 36.38 33.10 2puk s VAL 28 CO 0.56 0.47 0.09 -0.32 0.00 0.00 0.00 175.10 175.89 2puk s MET 29 N -1.24 0.87 -0.02 2.72 1.75 -0.83 -0.91 119.30 121.65 2puk s MET 29 Ca 0.16 -1.22 -0.19 0.00 -1.25 0.00 0.00 55.69 53.19 2puk s MET 29 Cb -0.11 -2.24 -0.05 0.00 2.84 0.00 0.00 34.83 35.27 2puk s MET 29 CO 0.06 -0.97 0.54 0.08 -0.65 0.00 0.00 175.02 174.08 2puk s VAL 30 N 1.48 4.96 -0.38 10.11 1.01 -0.55 -2.22 120.40 134.81 2puk s VAL 30 Ca 0.10 1.12 -0.10 0.00 0.00 0.00 0.00 61.98 63.10 2puk s VAL 30 Cb -0.18 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.37 2puk s VAL 30 CO -0.21 0.44 0.21 -0.62 0.00 0.00 0.00 175.10 174.91 2puk s ASP 31 N -0.27 5.67 -0.19 3.32 2.15 0.72 -1.26 116.67 126.81 2puk s ASP 31 Ca 0.29 -1.12 -0.28 0.00 0.43 0.00 0.00 52.55 51.87 2puk s ASP 31 Cb -0.18 -2.00 -0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2puk s ASP 31 CO 0.15 -0.41 0.99 -0.36 -0.17 0.00 0.00 175.17 175.37 2puk s PHE 32 N 1.51 3.40 0.19 -5.34 0.40 -0.51 0.01 117.98 117.63 2puk s PHE 32 Ca 0.02 1.45 -0.05 0.00 -0.60 0.00 0.00 56.93 57.75 2puk s PHE 32 Cb -0.20 -3.20 -0.03 0.00 0.51 0.00 0.00 43.02 40.10 2puk s PHE 32 CO 0.05 -0.38 0.22 1.67 0.70 0.00 0.00 175.22 177.49 2puk s TRP 33 N 2.72 0.77 -0.02 0.36 1.48 -0.86 -2.90 118.94 120.49 2puk s TRP 33 Ca 0.44 -1.08 0.02 0.00 -1.06 0.00 0.00 56.10 54.41 2puk s TRP 33 Cb -0.16 -0.28 0.01 0.00 -1.16 0.00 0.00 33.47 31.87 2puk s TRP 33 CO 0.10 -0.70 -0.06 0.00 -4.06 0.00 0.00 176.95 172.22 2puk s ALA 34 N -4.07 0.66 0.55 2.67 0.00 -1.26 -1.39 121.76 118.92 2puk s ALA 34 Ca 0.28 -0.20 0.23 0.00 0.00 0.00 0.00 51.96 52.28 2puk s ALA 34 Cb 0.05 -0.29 1.44 0.00 0.00 0.00 0.00 23.12 24.32 2puk s ALA 34 CO 0.07 0.08 2.09 -1.35 0.00 0.00 0.00 175.76 176.65 2puk h PRO 35 N 6.55 0.00 -0.78 0.00 0.11 -2.01 -1.68 132.00 134.19 2puk h PRO 35 Ca -0.34 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.36 2puk h PRO 35 Cb 1.17 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.04 2puk h PRO 35 CO 0.49 0.00 0.41 0.91 -0.21 0.00 0.00 178.00 179.60 2puk n TRP 36 N -4.26 2.42 -5.09 0.65 7.02 -1.26 -4.93 117.44 111.99 2puk n TRP 36 Ca 0.03 -1.78 -0.32 0.00 -1.02 0.00 0.00 57.50 54.40 2puk n TRP 36 Cb 0.33 -0.80 -0.15 0.00 -2.42 0.00 0.00 31.31 28.26 2puk n TRP 36 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2puk n GLY 38 N 2.98 -2.84 0.42 0.00 0.00 -1.26 -3.09 105.19 101.39 2puk n GLY 38 Ca -0.18 0.12 0.32 0.00 0.00 0.00 0.00 46.02 46.29 2puk n GLY 38 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2puk h PRO 39 N 0.00 0.14 0.00 1.61 0.11 -1.98 0.50 132.00 132.39 2puk h PRO 39 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2puk h PRO 39 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2puk h PRO 39 CO 0.00 0.10 0.19 0.43 -0.21 0.00 0.00 178.00 178.51 2puk n SER 40 N -4.83 0.42 -0.02 -2.05 7.64 -1.18 -0.90 113.62 112.70 2puk n SER 40 Ca 0.35 0.63 0.06 0.00 1.01 0.00 0.00 58.87 60.92 2puk n SER 40 Cb 1.28 -0.62 -0.15 0.00 -1.01 0.00 0.00 64.21 63.70 2puk n SER 40 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2puk n LYS 41 N -2.12 0.66 0.07 1.43 5.02 0.18 -3.49 118.16 119.91 2puk n LYS 41 Ca -0.01 -0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 2puk n LYS 41 Cb 0.22 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 33.55 2puk n LYS 41 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2puk h LEU 42 N 0.00 0.15 0.07 -0.35 4.07 -1.07 -3.33 115.31 114.85 2puk h LEU 42 Ca -0.12 -0.16 -0.26 0.00 0.08 0.00 0.00 57.88 57.41 2puk h LEU 42 Cb 1.29 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 2puk h LEU 42 CO 0.01 1.13 -1.27 0.16 -1.08 0.00 0.00 178.44 177.39 2puk h ILE 43 N 0.03 1.44 -0.90 1.22 3.07 -1.70 -3.38 117.51 117.29 2puk h ILE 43 Ca -0.06 -3.09 0.17 0.00 1.55 0.00 0.00 64.86 63.42 2puk h ILE 43 Cb 1.85 2.83 -0.16 0.00 -0.27 0.00 0.00 36.82 41.07 2puk h ILE 43 CO 0.15 0.87 -0.27 0.00 -1.05 0.00 0.00 178.15 177.86 2puk n ALA 44 N -2.51 0.10 0.08 0.16 0.00 -1.23 0.53 120.51 117.64 2puk n ALA 44 Ca -0.08 0.96 -0.05 0.00 0.00 0.00 0.00 53.44 54.27 2puk n ALA 44 Cb 1.00 -0.53 0.13 0.00 0.00 0.00 0.00 19.45 20.06 2puk n ALA 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2puk h PRO 45 N 0.00 0.28 -0.67 0.00 0.13 -1.76 -1.12 132.00 128.86 2puk h PRO 45 Ca 0.39 -0.18 -0.07 0.00 -0.87 0.00 0.00 66.00 65.27 2puk h PRO 45 Cb 0.62 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 2puk h PRO 45 CO -0.92 0.77 0.12 0.28 -0.23 0.00 0.00 178.00 178.02 2puk h VAL 46 N 0.21 1.26 0.09 1.56 2.07 -0.10 0.66 116.25 122.01 2puk h VAL 46 Ca -0.00 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2puk h VAL 46 Cb 1.06 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2puk h VAL 46 CO 0.09 0.38 -0.04 0.40 0.02 0.00 0.00 177.57 178.42 2puk h ILE 47 N 1.03 0.97 -0.79 4.57 1.08 -0.06 -2.59 117.51 121.71 2puk h ILE 47 Ca 0.21 -0.19 0.06 0.00 -0.39 0.00 0.00 64.86 64.54 2puk h ILE 47 Cb 0.41 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 2puk h ILE 47 CO 0.01 0.05 0.52 0.44 -0.69 0.00 0.00 178.15 178.48 2puk h ASP 48 N -0.21 0.77 -0.24 1.72 3.32 -0.62 -2.03 116.42 119.14 2puk h ASP 48 Ca -0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 2puk h ASP 48 Cb 0.17 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2puk h ASP 48 CO 0.02 0.50 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.67 2puk h GLU 49 N 0.88 0.74 -0.05 3.56 4.57 0.40 -3.25 114.58 121.43 2puk h GLU 49 Ca 0.34 -0.33 -0.25 0.00 -1.18 0.00 0.00 59.36 57.94 2puk h GLU 49 Cb 0.20 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2puk h GLU 49 CO -0.12 0.94 -0.94 -0.07 -1.18 0.00 0.00 179.01 177.65 2puk h LEU 50 N 0.63 0.88 -1.42 1.64 3.38 -0.98 -2.91 115.31 116.52 2puk h LEU 50 Ca 0.07 -0.65 0.13 0.00 0.09 0.00 0.00 57.88 57.52 2puk h LEU 50 Cb 0.82 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 2puk h LEU 50 CO 0.07 1.45 0.53 0.00 0.09 0.00 0.00 178.44 180.58 2puk h ALA 51 N 0.51 1.92 0.07 1.53 0.00 -1.43 0.43 119.26 122.29 2puk h ALA 51 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2puk h ALA 51 Cb 1.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2puk h ALA 51 CO 0.18 -0.12 -1.28 0.87 0.00 0.00 0.00 179.25 178.90 2puk h LYS 52 N 0.59 0.16 -0.37 0.00 1.57 -1.62 -3.03 116.57 113.87 2puk h LYS 52 Ca 0.39 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 2puk h LYS 52 Cb 0.68 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2puk h LYS 52 CO -0.15 1.06 -0.34 1.49 -0.57 0.00 0.00 179.45 180.94 2puk h GLU 53 N 0.04 0.84 -0.82 3.15 4.81 -1.04 -3.24 114.58 118.32 2puk h GLU 53 Ca -0.14 -0.41 -0.58 0.00 -0.13 0.00 0.00 59.36 58.10 2puk h GLU 53 Cb 1.92 -0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.93 2puk h GLU 53 CO 0.16 1.05 -0.23 0.66 -0.73 0.00 0.00 179.01 179.92 2puk n TYR 54 N -4.07 2.86 -1.69 0.92 4.02 0.03 -5.02 117.16 114.21 2puk n TYR 54 Ca -0.01 -2.48 -0.44 0.00 -0.01 0.00 0.00 57.90 54.96 2puk n TYR 54 Cb 0.51 -0.72 -0.03 0.00 -0.02 0.00 0.00 39.34 39.08 2puk n TYR 54 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2puk n SER 55 N -0.79 3.17 0.00 7.72 7.64 -1.14 -1.62 113.62 128.59 2puk n SER 55 Ca 0.50 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.50 2puk n SER 55 Cb 0.87 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2puk n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2puk n GLY 56 N 2.76 0.90 0.24 0.23 0.00 -1.26 -4.67 105.19 103.39 2puk n GLY 56 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2puk n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2puk h LYS 57 N 0.00 0.78 -3.99 1.61 1.57 -1.83 -3.44 116.57 111.26 2puk h LYS 57 Ca 0.00 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.46 2puk h LYS 57 Cb 0.00 -0.13 -0.22 0.00 0.08 0.00 0.00 32.23 31.96 2puk h LYS 57 CO 0.00 0.67 -0.71 0.96 -0.57 0.00 0.00 179.45 179.81 2puk s ILE 58 N -5.60 0.13 -0.19 1.86 -4.36 -0.64 -4.49 121.20 107.91 2puk s ILE 58 Ca -0.13 -0.80 -0.12 0.00 -0.26 0.00 0.00 60.65 59.34 2puk s ILE 58 Cb 0.12 -0.26 -0.05 0.00 1.25 0.00 0.00 42.46 43.53 2puk s ILE 58 CO 0.78 -0.42 0.21 0.00 0.24 0.00 0.00 174.94 175.74 2puk s ALA 59 N -1.26 3.64 -0.09 2.27 0.00 -0.93 -4.63 121.76 120.75 2puk s ALA 59 Ca -0.13 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.23 2puk s ALA 59 Cb -0.09 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 2puk s ALA 59 CO -0.01 0.07 -0.12 0.08 0.00 0.00 0.00 175.76 175.78 2puk s VAL 60 N 0.53 3.23 0.01 0.00 1.01 -1.26 -1.95 120.40 121.95 2puk s VAL 60 Ca 0.12 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2puk s VAL 60 Cb -0.12 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2puk s VAL 60 CO 0.01 0.56 -0.02 -0.31 0.00 0.00 0.00 175.10 175.34 2puk s TYR 61 N -0.23 0.21 -0.23 5.22 1.51 -0.94 -3.84 117.35 119.04 2puk s TYR 61 Ca 0.01 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 55.76 2puk s TYR 61 Cb -0.13 -0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 2puk s TYR 61 CO 0.03 -0.04 0.36 0.15 -1.11 0.00 0.00 175.55 174.94 2puk s LYS 62 N -0.43 4.10 -0.27 -0.62 1.02 -0.91 -0.20 119.74 122.42 2puk s LYS 62 Ca -0.03 0.09 -0.03 0.00 0.02 0.00 0.00 55.97 56.01 2puk s LYS 62 Cb -0.03 -3.59 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 2puk s LYS 62 CO -0.00 -0.13 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.12 2puk s LEU 63 N 1.61 3.54 -0.09 3.17 0.20 0.10 -2.04 118.68 125.17 2puk s LEU 63 Ca 0.16 -0.92 -0.30 0.00 0.69 0.00 0.00 54.13 53.77 2puk s LEU 63 Cb -0.15 -1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 43.86 2puk s LEU 63 CO 0.08 -0.18 1.03 0.21 -0.29 0.00 0.00 176.35 177.21 2puk s ASN 64 N 1.36 7.22 0.45 3.68 3.84 -1.26 -2.02 114.94 128.21 2puk s ASN 64 Ca -0.00 1.58 0.20 0.00 0.21 0.00 0.00 52.86 54.85 2puk s ASN 64 Cb -0.17 -2.56 1.08 0.00 -0.55 0.00 0.00 41.25 39.04 2puk s ASN 64 CO -0.02 -0.46 1.95 0.71 -2.79 0.00 0.00 177.10 176.49 2puk h THR 65 N 5.07 0.89 -0.08 -5.21 1.35 -1.52 -2.32 112.91 111.09 2puk h THR 65 Ca -0.32 -0.87 -0.17 0.00 -0.55 0.00 0.00 66.41 64.50 2puk h THR 65 Cb 1.15 1.51 0.01 0.00 -1.73 0.00 0.00 68.15 69.09 2puk h THR 65 CO 0.86 0.22 -0.62 0.44 -0.25 0.00 0.00 175.52 176.17 2puk h ASP 66 N 0.00 0.67 0.06 5.36 3.32 -1.93 -3.29 116.42 120.61 2puk h ASP 66 Ca -0.00 -0.68 -0.19 0.00 0.02 0.00 0.00 57.03 56.18 2puk h ASP 66 Cb 0.49 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2puk h ASP 66 CO 0.03 1.25 -0.71 -0.33 -1.72 0.00 0.00 179.24 177.76 2puk h GLU 67 N 0.15 0.59 -2.69 3.56 4.39 -1.94 -3.40 114.58 115.24 2puk h GLU 67 Ca -0.06 -0.45 -0.61 0.00 0.34 0.00 0.00 59.36 58.58 2puk h GLU 67 Cb 1.28 0.09 -0.41 0.00 -0.10 0.00 0.00 28.75 29.60 2puk h GLU 67 CO 0.13 1.07 -0.65 0.00 -1.16 0.00 0.00 179.01 178.40 2puk n ALA 68 N -2.55 3.51 0.12 3.43 0.00 -0.88 -4.90 120.51 119.24 2puk n ALA 68 Ca -0.05 -4.40 -0.02 0.00 0.00 0.00 0.00 53.44 48.97 2puk n ALA 68 Cb 0.70 -0.95 0.21 0.00 0.00 0.00 0.00 19.45 19.41 2puk n ALA 68 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2puk h PRO 69 N 4.97 0.14 -0.62 0.00 0.13 -1.78 -3.17 132.00 131.67 2puk h PRO 69 Ca 0.17 -0.08 0.07 0.00 -0.87 0.00 0.00 66.00 65.30 2puk h PRO 69 Cb 0.75 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.82 2puk h PRO 69 CO 0.71 0.61 0.30 0.78 -0.23 0.00 0.00 178.00 180.16 2puk h GLY 70 N 1.41 0.90 0.77 1.56 0.00 -1.91 -0.84 103.07 104.95 2puk h GLY 70 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2puk h GLY 70 CO 0.07 0.07 -0.10 -2.22 0.00 0.00 0.00 176.54 174.37 2puk h ILE 71 N 0.54 0.88 -0.81 2.60 1.08 -1.95 0.18 117.51 120.02 2puk h ILE 71 Ca 0.29 -0.47 0.09 0.00 -0.39 0.00 0.00 64.86 64.38 2puk h ILE 71 Cb 0.27 1.16 -0.07 0.00 -3.07 0.00 0.00 36.82 35.10 2puk h ILE 71 CO -0.23 0.11 0.46 0.00 -0.69 0.00 0.00 178.15 177.79 2puk h ALA 72 N 0.22 1.15 -0.53 1.87 0.00 -1.52 0.24 119.26 120.69 2puk h ALA 72 Ca -0.03 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2puk h ALA 72 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2puk h ALA 72 CO 0.05 0.08 -0.01 1.15 0.00 0.00 0.00 179.25 180.52 2puk h THR 73 N 0.77 1.25 0.00 0.00 2.02 -1.10 0.38 112.91 116.23 2puk h THR 73 Ca 0.39 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 2puk h THR 73 Cb 0.36 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2puk h THR 73 CO -0.25 0.39 -0.34 -0.61 0.37 0.00 0.00 175.52 175.08 2puk h GLN 74 N 0.84 0.00 -0.18 6.66 4.15 0.25 -2.66 115.11 124.17 2puk h GLN 74 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2puk h GLN 74 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2puk h GLN 74 CO 0.02 0.34 0.00 0.66 -1.93 0.00 0.00 178.83 177.92 2puk n TYR 75 N -3.88 0.35 -4.12 3.99 4.01 -0.25 -5.01 117.16 112.25 2puk n TYR 75 Ca -0.01 -0.65 -0.29 0.00 -0.16 0.00 0.00 57.90 56.78 2puk n TYR 75 Cb 0.41 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.28 2puk n TYR 75 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2puk n ASN 76 N -0.28 -0.57 -4.69 7.72 5.15 -0.38 -4.92 115.26 117.29 2puk n ASN 76 Ca 0.11 -1.09 -0.42 0.00 -0.60 0.00 0.00 54.58 52.58 2puk n ASN 76 Cb 0.50 -2.57 -0.03 0.00 -0.53 0.00 0.00 39.78 37.16 2puk n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2puk s ILE 77 N -3.92 2.94 0.00 -1.44 -1.09 -0.02 -4.92 121.20 112.75 2puk s ILE 77 Ca 0.17 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 2puk s ILE 77 Cb -0.09 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 2puk s ILE 77 CO 0.93 0.00 0.00 0.54 -1.23 0.00 0.00 174.94 175.18 2puk n ARG 78 N 5.49 0.00 -2.10 2.79 1.74 -1.26 -4.84 116.66 118.48 2puk n ARG 78 Ca 0.16 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 2puk n ARG 78 Cb 0.40 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.81 2puk n ARG 78 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2puk s SER 79 N 0.65 6.76 0.03 0.55 0.15 -1.26 -5.03 113.70 115.55 2puk s SER 79 Ca 0.00 2.42 0.08 0.00 0.70 0.00 0.00 55.95 59.15 2puk s SER 79 Cb 0.00 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2puk s SER 79 CO 0.00 -0.69 -0.22 0.27 1.20 0.00 0.00 173.24 173.80 2puk s ILE 80 N 1.02 1.77 0.53 6.45 -4.36 -1.26 -4.04 121.20 121.31 2puk s ILE 80 Ca 0.65 -1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 59.68 2puk s ILE 80 Cb -0.39 -1.52 -0.07 0.00 1.25 0.00 0.00 42.46 41.74 2puk s ILE 80 CO 0.31 0.29 1.03 -2.16 0.24 0.00 0.00 174.94 174.65 2puk s PRO 81 N -1.06 3.67 -0.08 0.37 0.04 -1.26 -4.82 135.00 131.85 2puk s PRO 81 Ca 0.08 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2puk s PRO 81 Cb -0.09 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2puk s PRO 81 CO 0.01 -0.52 -0.10 0.99 0.04 0.00 0.00 177.00 177.42 2puk s THR 82 N -2.31 1.08 -0.20 1.26 2.01 -1.14 -0.37 115.64 115.97 2puk s THR 82 Ca 0.64 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 2puk s THR 82 Cb -0.14 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2puk s THR 82 CO 0.28 0.36 0.34 -0.69 -0.69 0.00 0.00 174.62 174.22 2puk s VAL 83 N 1.08 5.24 0.11 3.82 1.01 0.51 -1.43 120.40 130.74 2puk s VAL 83 Ca -0.07 0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.58 2puk s VAL 83 Cb -0.14 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2puk s VAL 83 CO -0.01 0.29 -0.08 -0.22 0.00 0.00 0.00 175.10 175.08 2puk s LEU 84 N 1.13 3.14 -0.11 3.92 2.96 -0.39 -1.48 118.68 127.85 2puk s LEU 84 Ca 0.17 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2puk s LEU 84 Cb -0.14 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.65 2puk s LEU 84 CO 0.07 0.17 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.73 2puk s PHE 85 N -1.27 2.19 -0.17 5.38 0.40 -0.71 -1.48 117.98 122.32 2puk s PHE 85 Ca 0.23 -1.03 0.01 0.00 -0.60 0.00 0.00 56.93 55.53 2puk s PHE 85 Cb -0.11 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.90 2puk s PHE 85 CO 0.15 -0.50 -0.20 -0.06 0.70 0.00 0.00 175.22 175.31 2puk s PHE 86 N 0.87 2.76 -0.22 0.36 0.40 -0.09 -0.99 117.98 121.07 2puk s PHE 86 Ca -0.08 -1.59 0.02 0.00 -0.60 0.00 0.00 56.93 54.68 2puk s PHE 86 Cb -0.15 -1.90 0.05 0.00 0.51 0.00 0.00 43.02 41.52 2puk s PHE 86 CO -0.01 -0.77 -0.12 0.21 0.70 0.00 0.00 175.22 175.24 2puk s LYS 87 N 1.20 2.23 -1.12 0.44 2.20 -1.06 0.62 119.74 124.25 2puk s LYS 87 Ca 0.03 -1.03 -0.09 0.00 -0.36 0.00 0.00 55.97 54.52 2puk s LYS 87 Cb -0.13 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 2puk s LYS 87 CO -0.11 -0.45 0.87 0.09 -0.36 0.00 0.00 175.35 175.39 2puk n ASN 88 N 4.58 -5.17 0.00 1.43 3.02 -1.26 -2.87 115.26 114.99 2puk n ASN 88 Ca -0.15 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2puk n ASN 88 Cb 0.45 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.03 2puk n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2puk n GLY 89 N -1.38 0.06 3.70 7.41 0.00 -1.19 -4.95 105.19 108.83 2puk n GLY 89 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2puk n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2puk s GLU 90 N -1.50 3.46 -0.51 1.61 2.02 -1.14 -4.96 118.70 117.69 2puk s GLU 90 Ca 0.00 -0.33 -0.28 0.00 0.02 0.00 0.00 54.97 54.37 2puk s GLU 90 Cb 0.00 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.22 2puk s GLU 90 CO 0.00 0.55 1.32 0.50 0.02 0.00 0.00 175.26 177.65 2puk s ARG 91 N -0.41 3.50 -0.27 1.61 3.52 -1.26 -2.56 118.95 123.08 2puk s ARG 91 Ca 0.09 0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 56.17 2puk s ARG 91 Cb -0.12 -4.03 -0.14 0.00 -1.56 0.00 0.00 34.95 29.09 2puk s ARG 91 CO 0.02 -1.68 -0.27 1.63 -0.81 0.00 0.00 175.30 174.19 2puk n LYS 92 N 8.30 0.61 -4.02 5.12 4.76 -0.16 -5.01 118.16 127.75 2puk n LYS 92 Ca 0.13 0.25 -0.14 0.00 -2.87 0.00 0.00 58.31 55.67 2puk n LYS 92 Cb 0.49 -1.52 -0.14 0.00 -1.84 0.00 0.00 35.03 32.02 2puk n LYS 92 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2puk s GLU 93 N -2.51 0.23 -0.23 1.97 2.12 -1.22 -4.99 118.70 114.06 2puk s GLU 93 Ca -0.37 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2puk s GLU 93 Cb 0.12 -0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.35 2puk s GLU 93 CO 0.54 0.06 -0.09 -1.12 -0.54 0.00 0.00 175.26 174.10 2puk s SER 94 N -0.07 3.87 -0.10 -1.70 0.01 -1.26 -1.74 113.70 112.72 2puk s SER 94 Ca 0.01 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.16 2puk s SER 94 Cb -0.01 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 2puk s SER 94 CO -0.00 -0.18 -0.18 -0.63 0.41 0.00 0.00 173.24 172.65 2puk s ILE 95 N 1.30 2.61 0.00 1.44 1.01 -0.55 -5.01 121.20 122.00 2puk s ILE 95 Ca -0.05 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2puk s ILE 95 Cb -0.18 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 2puk s ILE 95 CO -0.07 0.55 -0.06 -0.63 0.00 0.00 0.00 174.94 174.73 2puk s ILE 96 N 0.20 3.71 0.00 2.92 1.01 -1.26 -0.36 121.20 127.41 2puk s ILE 96 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2puk s ILE 96 Cb -0.16 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.70 2puk s ILE 96 CO 0.06 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2puk n GLY 97 N 1.56 -1.99 2.96 6.18 0.00 0.51 -4.61 105.19 109.79 2puk n GLY 97 Ca -0.15 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 2puk n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2puk n ALA 98 N 0.04 5.14 -1.87 4.61 0.00 -1.26 -4.65 120.51 122.52 2puk n ALA 98 Ca 0.00 -4.31 -0.41 0.00 0.00 0.00 0.00 53.44 48.72 2puk n ALA 98 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 19.45 16.43 2puk n ALA 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2puk s VAL 99 N 0.50 3.46 0.73 0.00 1.01 -1.26 -4.99 120.40 119.86 2puk s VAL 99 Ca 0.40 1.38 -0.13 0.00 0.00 0.00 0.00 61.98 63.62 2puk s VAL 99 Cb 0.08 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.62 2puk s VAL 99 CO 0.01 0.29 1.13 -2.84 0.00 0.00 0.00 175.10 173.68 2puk s PRO 100 N -1.05 2.32 0.34 2.72 0.02 -1.26 -4.88 135.00 133.22 2puk s PRO 100 Ca 0.48 1.41 0.15 0.00 0.02 0.00 0.00 61.00 63.05 2puk s PRO 100 Cb -0.33 -1.89 1.09 0.00 0.02 0.00 0.00 34.50 33.39 2puk s PRO 100 CO 0.41 -1.62 1.67 -0.22 -0.33 0.00 0.00 177.00 176.90 2puk h LYS 101 N -0.58 0.32 -0.81 5.54 3.64 -1.95 -2.00 116.57 120.73 2puk h LYS 101 Ca -0.46 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2puk h LYS 101 Cb 1.25 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 2puk h LYS 101 CO 0.51 0.21 0.52 0.66 -2.27 0.00 0.00 179.45 179.09 2puk h SER 102 N 0.33 0.87 -0.01 4.20 4.64 -1.99 0.23 113.55 121.83 2puk h SER 102 Ca 0.73 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.87 2puk h SER 102 Cb 1.67 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2puk h SER 102 CO -0.60 0.61 -0.62 0.74 -0.87 0.00 0.00 176.83 176.09 2puk h THR 103 N 1.03 1.32 -0.37 2.95 2.02 -1.72 -1.13 112.91 117.00 2puk h THR 103 Ca 0.32 -1.88 -0.12 0.00 0.77 0.00 0.00 66.41 65.51 2puk h THR 103 Cb -0.01 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2puk h THR 103 CO -0.11 0.59 -0.25 -0.07 0.37 0.00 0.00 175.52 176.06 2puk h LEU 104 N 0.46 0.77 0.30 2.58 4.07 -1.39 -2.81 115.31 119.28 2puk h LEU 104 Ca -0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 2puk h LEU 104 Cb 1.19 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 2puk h LEU 104 CO 0.12 0.98 -0.17 0.74 -1.08 0.00 0.00 178.44 179.03 2puk h THR 105 N 0.65 0.64 -0.66 0.22 2.02 -0.36 -2.54 112.91 112.88 2puk h THR 105 Ca 0.09 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.43 2puk h THR 105 Cb 0.75 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2puk h THR 105 CO 0.06 0.00 0.46 0.44 0.37 0.00 0.00 175.52 176.85 2puk h ASP 106 N -0.45 0.14 0.39 4.18 5.19 -1.14 -1.35 116.42 123.38 2puk h ASP 106 Ca -0.03 0.01 -0.23 0.00 -0.62 0.00 0.00 57.03 56.15 2puk h ASP 106 Cb 0.36 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2puk h ASP 106 CO 0.04 0.07 -0.99 0.28 -3.12 0.00 0.00 179.24 175.53 2puk h SER 107 N 0.15 0.51 -0.59 6.45 0.02 -1.33 -3.26 113.55 115.50 2puk h SER 107 Ca 0.32 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2puk h SER 107 Cb 1.05 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 2puk h SER 107 CO -0.05 1.24 0.14 0.40 -1.14 0.00 0.00 176.83 177.42 2puk h ILE 108 N 0.20 1.25 0.00 3.27 2.04 -0.82 -2.79 117.51 120.66 2puk h ILE 108 Ca -0.09 -0.93 -0.10 0.00 1.00 0.00 0.00 64.86 64.75 2puk h ILE 108 Cb 1.64 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2puk h ILE 108 CO 0.17 0.35 -0.45 -0.33 0.00 0.00 0.00 178.15 177.88 2puk h GLU 109 N 0.94 0.00 0.00 2.37 3.07 -1.63 -2.81 114.58 116.52 2puk h GLU 109 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2puk h GLU 109 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2puk h GLU 109 CO 0.00 0.45 0.00 1.17 -1.40 0.00 0.00 179.01 179.24 2puk n LYS 110 N -3.68 0.05 -3.76 2.33 4.81 -1.06 -3.89 118.16 112.96 2puk n LYS 110 Ca -0.01 0.25 -0.29 0.00 -0.87 0.00 0.00 58.31 57.39 2puk n LYS 110 Cb 0.53 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.95 2puk n LYS 110 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2puk s TYR 111 N -2.89 2.28 0.00 5.64 2.02 -1.06 -5.12 117.35 118.21 2puk s TYR 111 Ca 0.08 -2.63 0.00 0.00 -0.37 0.00 0.00 57.07 54.15 2puk s TYR 111 Cb 0.08 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 2puk s TYR 111 CO 0.23 -0.76 0.00 1.28 -1.57 0.00 0.00 175.55 174.73