#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxx n HIS 36 N 0.00 3.29 0.09 4.31 8.25 -1.26 -4.88 115.22 125.03 3dxx n HIS 36 Ca 0.00 -3.98 -0.13 0.00 -0.26 0.00 0.00 57.72 53.36 3dxx n HIS 36 Cb 0.00 -0.48 -0.08 0.00 1.12 0.00 0.00 29.99 30.55 3dxx n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dxx h ALA 37 N 3.12 -0.26 -0.07 -1.41 0.00 -1.98 -0.15 119.26 118.50 3dxx h ALA 37 Ca 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dxx h ALA 37 Cb 0.60 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3dxx h ALA 37 CO 0.76 -0.44 -0.48 -0.07 0.00 0.00 0.00 179.25 179.02 3dxx h LEU 38 N -0.68 -1.51 -0.61 0.00 3.38 -1.90 0.13 115.31 114.13 3dxx h LEU 38 Ca -0.03 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.24 3dxx h LEU 38 Cb 0.48 0.59 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 3dxx h LEU 38 CO 0.04 -0.48 0.13 -0.33 0.09 0.00 0.00 178.44 177.90 3dxx h GLU 39 N -0.58 0.26 -0.06 1.13 5.08 -1.96 0.29 114.58 118.73 3dxx h GLU 39 Ca 0.04 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3dxx h GLU 39 Cb 0.68 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3dxx h GLU 39 CO -0.39 0.17 -0.54 -0.91 -1.00 0.00 0.00 179.01 176.34 3dxx h ASN 40 N 0.26 0.58 0.00 1.42 2.35 -0.67 -3.40 115.58 116.13 3dxx h ASN 40 Ca 0.32 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3dxx h ASN 40 Cb 0.48 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3dxx h ASN 40 CO -0.41 1.18 -0.93 -1.22 -1.65 0.00 0.00 177.43 174.41 3dxx n TYR 41 N -4.23 0.00 -0.21 1.19 4.01 0.43 -4.46 117.16 113.90 3dxx n TYR 41 Ca -0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.61 3dxx n TYR 41 Cb 0.63 -0.10 0.06 0.00 -0.31 0.00 0.00 39.34 39.62 3dxx n TYR 41 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 3dxx h TRP 42 N 0.00 0.65 -0.05 -0.72 2.91 -1.03 -1.76 115.95 115.95 3dxx h TRP 42 Ca 0.00 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.06 3dxx h TRP 42 Cb 0.40 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 28.84 3dxx h TRP 42 CO 0.00 0.35 0.04 -1.35 -1.03 0.00 0.00 178.44 176.46 3dxx h PRO 43 N 0.68 0.00 0.05 2.65 0.11 -1.79 0.18 132.00 133.89 3dxx h PRO 43 Ca 0.25 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.15 3dxx h PRO 43 Cb 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3dxx h PRO 43 CO -0.13 0.00 -1.10 -0.24 -0.21 0.00 0.00 178.00 176.32 3dxx h VAL 44 N 0.00 1.13 0.00 3.15 3.04 -1.75 -3.42 116.25 118.39 3dxx h VAL 44 Ca 0.03 -2.31 0.00 0.00 -1.01 0.00 0.00 66.70 63.41 3dxx h VAL 44 Cb 0.11 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 3dxx h VAL 44 CO -0.00 0.55 -1.06 0.23 -1.01 0.00 0.00 177.57 176.28 3dxx n MET 45 N -4.23 1.69 -2.68 4.17 2.81 -0.69 -4.99 117.12 113.20 3dxx n MET 45 Ca -0.25 -0.05 -0.35 0.00 -1.81 0.00 0.00 57.70 55.24 3dxx n MET 45 Cb 0.74 -1.20 -0.05 0.00 -0.71 0.00 0.00 33.22 32.00 3dxx n MET 45 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3dxx s GLY 46 N -2.81 2.59 -0.14 3.03 0.00 0.64 -0.81 107.32 109.82 3dxx s GLY 46 Ca 0.01 0.55 0.01 0.00 0.00 0.00 0.00 44.72 45.28 3dxx s GLY 46 CO 0.54 0.91 -0.14 0.14 0.00 0.00 0.00 173.10 174.55 3dxx s VAL 47 N -1.89 1.54 0.43 1.40 1.01 0.34 -4.84 120.40 118.40 3dxx s VAL 47 Ca 0.60 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.72 3dxx s VAL 47 Cb -0.16 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 3dxx s VAL 47 CO 0.21 0.45 1.04 -1.61 0.00 0.00 0.00 175.10 175.19 3dxx s GLU 48 N 1.35 4.05 0.42 2.72 0.41 -1.26 -4.51 118.70 121.88 3dxx s GLU 48 Ca 0.02 1.46 -0.25 0.00 -0.41 0.00 0.00 54.97 55.78 3dxx s GLU 48 Cb -0.13 -2.40 -0.08 0.00 -1.78 0.00 0.00 34.13 29.74 3dxx s GLU 48 CO -0.08 -0.23 1.25 0.12 -0.49 0.00 0.00 175.26 175.84 3dxx s PHE 49 N -1.77 2.86 -0.02 1.61 5.36 -1.26 -5.03 117.98 119.73 3dxx s PHE 49 Ca 0.61 1.46 -0.13 0.00 -0.96 0.00 0.00 56.93 57.91 3dxx s PHE 49 Cb -0.20 -3.57 0.02 0.00 -0.34 0.00 0.00 43.02 38.93 3dxx s PHE 49 CO 0.25 -1.86 0.28 0.45 -1.46 0.00 0.00 175.22 172.89 3dxx s SER 50 N -0.93 -0.17 0.00 6.13 0.15 -1.26 -5.01 113.70 112.60 3dxx s SER 50 Ca 0.59 0.09 0.14 0.00 0.70 0.00 0.00 55.95 57.47 3dxx s SER 50 Cb -0.35 0.33 0.83 0.00 -1.71 0.00 0.00 66.02 65.11 3dxx s SER 50 CO 0.44 -0.40 1.32 -1.84 1.20 0.00 0.00 173.24 173.95 3dxx n GLU 51 N 1.45 0.39 -4.33 5.44 0.28 -1.26 -4.64 120.64 117.97 3dxx n GLU 51 Ca -0.21 0.04 -0.30 0.00 -0.16 0.00 0.00 57.16 56.54 3dxx n GLU 51 Cb 0.56 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.82 3dxx n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3dxx s ASP 52 N -2.16 3.95 0.33 -1.84 1.01 -1.26 -4.94 116.67 111.77 3dxx s ASP 52 Ca 0.20 -0.52 -0.29 0.00 0.71 0.00 0.00 52.55 52.65 3dxx s ASP 52 Cb 0.10 -0.60 -0.10 0.00 1.01 0.00 0.00 42.92 43.33 3dxx s ASP 52 CO 0.18 0.19 1.31 -0.04 0.21 0.00 0.00 175.17 177.02 3dxx s MET 53 N -2.07 4.35 0.47 8.23 -1.94 -1.21 -4.41 119.30 122.72 3dxx s MET 53 Ca 0.18 2.22 -0.22 0.00 -1.71 0.00 0.00 55.69 56.16 3dxx s MET 53 Cb -0.11 -3.07 -0.07 0.00 2.01 0.00 0.00 34.83 33.59 3dxx s MET 53 CO 0.10 -0.20 1.13 -0.51 -0.01 0.00 0.00 175.02 175.53 3dxx s LEU 54 N -1.77 3.97 -0.43 -0.03 1.43 0.21 -5.02 118.68 117.05 3dxx s LEU 54 Ca 0.49 2.22 -0.05 0.00 -1.03 0.00 0.00 54.13 55.76 3dxx s LEU 54 Cb -0.40 -4.32 0.11 0.00 0.03 0.00 0.00 46.19 41.61 3dxx s LEU 54 CO 0.53 -0.90 0.25 -0.62 0.23 0.00 0.00 176.35 175.84 3dxx s ASP 55 N -1.51 5.40 0.17 2.29 -1.08 -1.26 -4.69 116.67 115.98 3dxx s ASP 55 Ca 0.65 -2.00 -0.15 0.00 -0.52 0.00 0.00 52.55 50.53 3dxx s ASP 55 Cb -0.26 -1.89 0.06 0.00 -1.46 0.00 0.00 42.92 39.37 3dxx s ASP 55 CO 0.31 -0.59 1.82 -0.26 0.52 0.00 0.00 175.17 176.97 3dxx h PHE 56 N 8.17 0.57 -0.65 -5.34 0.04 -1.95 0.56 116.94 118.34 3dxx h PHE 56 Ca -0.15 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.75 3dxx h PHE 56 Cb 1.05 -0.19 -0.09 0.00 2.20 0.00 0.00 35.95 38.93 3dxx h PHE 56 CO 0.58 0.35 0.18 -1.35 -0.60 0.00 0.00 178.31 177.46 3dxx h PRO 57 N 0.61 0.30 -0.53 1.51 0.11 -1.96 0.17 132.00 132.22 3dxx h PRO 57 Ca 0.18 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 3dxx h PRO 57 Cb -0.04 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3dxx h PRO 57 CO -0.06 0.20 0.05 0.00 -0.21 0.00 0.00 178.00 177.98 3dxx h ALA 58 N 1.50 0.71 0.03 -0.75 0.00 -1.71 0.97 119.26 120.00 3dxx h ALA 58 Ca 0.35 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dxx h ALA 58 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dxx h ALA 58 CO -0.41 0.48 -0.01 1.25 0.00 0.00 0.00 179.25 180.56 3dxx h LEU 59 N 0.78 -0.03 -0.91 0.00 5.85 -0.40 -3.29 115.31 117.31 3dxx h LEU 59 Ca 0.16 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3dxx h LEU 59 Cb 0.46 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3dxx h LEU 59 CO 0.02 0.17 -0.38 0.49 -0.34 0.00 0.00 178.44 178.40 3dxx n PHE 60 N -5.01 0.00 -1.05 1.25 3.72 0.56 -4.97 117.46 111.95 3dxx n PHE 60 Ca -0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.30 3dxx n PHE 60 Cb 0.13 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 3dxx n PHE 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dxx n GLY 61 N 1.39 0.49 3.82 1.37 0.00 0.32 -4.96 105.19 107.63 3dxx n GLY 61 Ca 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 3dxx n GLY 61 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dxx s ARG 62 N -1.18 1.71 -0.36 1.61 1.70 -1.13 -5.02 118.95 116.28 3dxx s ARG 62 Ca 0.00 -1.01 -0.10 0.00 -0.47 0.00 0.00 55.73 54.15 3dxx s ARG 62 Cb 0.00 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.94 3dxx s ARG 62 CO 0.00 -0.79 0.18 -1.21 -1.08 0.00 0.00 175.30 172.40 3dxx s GLU 63 N -3.10 2.82 0.08 3.89 2.02 -1.26 -3.85 118.70 119.30 3dxx s GLU 63 Ca 0.14 -1.07 -0.14 0.00 0.02 0.00 0.00 54.97 53.91 3dxx s GLU 63 Cb -0.04 -3.65 0.02 0.00 0.10 0.00 0.00 34.13 30.56 3dxx s GLU 63 CO 0.07 -0.67 0.34 0.00 0.02 0.00 0.00 175.26 175.02 3dxx s ALA 64 N 1.52 -0.75 0.50 5.21 0.00 -1.26 -5.14 121.76 121.84 3dxx s ALA 64 Ca 0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.67 3dxx s ALA 64 Cb -0.19 0.49 -0.07 0.00 0.00 0.00 0.00 23.12 23.35 3dxx s ALA 64 CO 0.06 -0.52 1.40 -2.30 0.00 0.00 0.00 175.76 174.39 3dxx n PRO 65 N 0.17 1.99 -4.95 0.00 -0.02 -1.26 -4.74 135.00 126.18 3dxx n PRO 65 Ca -0.17 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 3dxx n PRO 65 Cb 0.62 -2.60 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 3dxx n PRO 65 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dxx s VAL 66 N -1.24 2.32 -0.12 -1.45 1.01 -1.26 -1.19 120.40 118.47 3dxx s VAL 66 Ca 0.66 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3dxx s VAL 66 Cb -0.44 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3dxx s VAL 66 CO 0.54 0.55 -0.13 -0.89 0.00 0.00 0.00 175.10 175.16 3dxx s THR 67 N 0.49 3.03 -0.20 3.92 2.01 -0.52 -0.80 115.64 123.58 3dxx s THR 67 Ca -0.14 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 3dxx s THR 67 Cb -0.17 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3dxx s THR 67 CO 0.05 0.53 0.04 -0.22 -0.69 0.00 0.00 174.62 174.34 3dxx s LEU 68 N 0.22 3.58 -0.26 4.42 2.96 0.08 -0.97 118.68 128.71 3dxx s LEU 68 Ca -0.09 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 3dxx s LEU 68 Cb -0.15 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3dxx s LEU 68 CO 0.05 0.11 0.12 -0.70 -1.32 0.00 0.00 176.35 174.61 3dxx s GLU 69 N 0.74 3.79 -0.20 1.98 2.12 -0.14 -0.28 118.70 126.71 3dxx s GLU 69 Ca 0.02 -0.41 -0.17 0.00 0.36 0.00 0.00 54.97 54.78 3dxx s GLU 69 Cb -0.14 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3dxx s GLU 69 CO 0.02 -0.17 0.43 0.42 -0.54 0.00 0.00 175.26 175.43 3dxx s ILE 70 N 1.62 5.17 -0.60 -3.70 1.01 0.17 -1.04 121.20 123.84 3dxx s ILE 70 Ca 0.07 0.78 -0.03 0.00 0.00 0.00 0.00 60.65 61.47 3dxx s ILE 70 Cb -0.15 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3dxx s ILE 70 CO 0.06 0.23 0.52 0.61 0.00 0.00 0.00 174.94 176.37 3dxx n GLY 71 N 3.89 -0.21 0.00 6.18 0.00 0.97 -4.31 105.19 111.71 3dxx n GLY 71 Ca -0.07 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.20 3dxx n GLY 71 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3dxx n PHE 72 N -2.51 0.00 0.00 1.61 1.16 -1.01 -4.74 117.46 111.96 3dxx n PHE 72 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.52 3dxx n PHE 72 Cb 0.57 -0.27 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 3dxx n PHE 72 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3dxx n GLY 73 N 0.48 3.37 0.37 4.97 0.00 -1.26 -1.12 105.19 112.00 3dxx n GLY 73 Ca 0.10 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.14 3dxx n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dxx n MET 74 N 13.24 1.47 -1.04 1.61 2.81 -1.26 -4.03 117.12 129.92 3dxx n MET 74 Ca 0.00 -0.74 -0.02 0.00 -1.81 0.00 0.00 57.70 55.14 3dxx n MET 74 Cb 0.00 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.02 3dxx n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dxx n GLY 75 N 1.15 0.52 0.21 3.03 0.00 -0.27 -2.47 105.19 107.36 3dxx n GLY 75 Ca 0.19 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 3dxx n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxx h ALA 76 N 0.00 0.60 -0.36 4.61 0.00 -1.93 -0.23 119.26 121.96 3dxx h ALA 76 Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3dxx h ALA 76 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dxx h ALA 76 CO 0.05 0.11 0.03 1.03 0.00 0.00 0.00 179.25 180.46 3dxx h SER 77 N 0.62 0.60 -0.41 0.00 0.87 -1.93 -2.27 113.55 111.05 3dxx h SER 77 Ca 0.17 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 3dxx h SER 77 Cb 0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3dxx h SER 77 CO -0.03 0.74 0.16 0.25 -0.53 0.00 0.00 176.83 177.42 3dxx h LEU 78 N 0.45 0.56 -0.23 2.23 5.85 -1.84 -0.40 115.31 121.92 3dxx h LEU 78 Ca 0.11 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3dxx h LEU 78 Cb 0.42 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3dxx h LEU 78 CO 0.01 0.58 0.09 0.58 -0.34 0.00 0.00 178.44 179.37 3dxx h VAL 79 N 0.51 1.17 -0.96 1.05 2.07 -1.07 -0.43 116.25 118.59 3dxx h VAL 79 Ca 0.14 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3dxx h VAL 79 Cb 0.19 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3dxx h VAL 79 CO -0.01 0.17 0.63 0.00 0.02 0.00 0.00 177.57 178.38 3dxx h ALA 80 N 0.93 1.39 0.12 1.67 0.00 -1.27 -0.03 119.26 122.06 3dxx h ALA 80 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dxx h ALA 80 Cb 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3dxx h ALA 80 CO -0.01 0.51 -0.06 1.98 0.00 0.00 0.00 179.25 181.68 3dxx h MET 81 N 1.20 -0.16 -0.71 0.00 -1.53 -0.90 -2.42 114.93 110.42 3dxx h MET 81 Ca 0.39 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.63 3dxx h MET 81 Cb 0.03 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.08 3dxx h MET 81 CO -0.12 0.10 0.35 0.00 0.14 0.00 0.00 176.91 177.39 3dxx h ALA 82 N 0.43 1.29 -0.82 0.39 0.00 -0.84 -2.20 119.26 117.52 3dxx h ALA 82 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3dxx h ALA 82 Cb 0.33 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3dxx h ALA 82 CO 0.03 0.56 0.34 -0.22 0.00 0.00 0.00 179.25 179.96 3dxx h LYS 83 N 1.00 1.21 0.00 0.00 3.64 -0.97 -2.86 116.57 118.58 3dxx h LYS 83 Ca 0.25 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3dxx h LYS 83 Cb 0.08 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3dxx h LYS 83 CO -0.03 0.97 0.00 0.22 -2.27 0.00 0.00 179.45 178.33 3dxx h ASP 84 N 1.18 0.00 -2.14 4.20 3.58 -1.13 -3.38 116.42 118.74 3dxx h ASP 84 Ca 0.27 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.14 3dxx h ASP 84 Cb 0.20 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 40.84 3dxx h ASP 84 CO -0.02 0.00 -0.76 0.54 -2.88 0.00 0.00 179.24 176.12 3dxx n ARG 85 N -3.04 2.05 0.30 0.28 1.74 -0.85 -4.91 116.66 112.22 3dxx n ARG 85 Ca 0.04 -4.25 0.20 0.00 -0.77 0.00 0.00 57.85 53.06 3dxx n ARG 85 Cb 0.49 -1.96 0.96 0.00 -1.02 0.00 0.00 32.46 30.94 3dxx n ARG 85 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3dxx h PRO 86 N 3.98 0.00 -0.00 5.56 0.13 -1.74 -1.91 132.00 138.02 3dxx h PRO 86 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3dxx h PRO 86 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3dxx h PRO 86 CO 0.72 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.61 3dxx n GLU 87 N -2.99 0.29 -4.44 0.86 0.00 -1.26 -4.85 120.64 108.25 3dxx n GLU 87 Ca -0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 57.16 56.88 3dxx n GLU 87 Cb 0.16 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.00 3dxx n GLU 87 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3dxx s GLN 88 N -2.73 1.86 0.17 3.44 -0.21 -0.72 -4.61 119.66 116.86 3dxx s GLN 88 Ca 0.23 -1.76 0.08 0.00 0.02 0.00 0.00 55.36 53.93 3dxx s GLN 88 Cb 0.20 -1.83 -0.04 0.00 1.00 0.00 0.00 33.01 32.33 3dxx s GLN 88 CO 0.50 0.26 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.36 3dxx s ASP 89 N -3.59 4.52 -0.03 5.90 1.01 -0.33 -4.85 116.67 119.30 3dxx s ASP 89 Ca 0.32 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.11 3dxx s ASP 89 Cb -0.03 -0.87 0.03 0.00 1.01 0.00 0.00 42.92 43.06 3dxx s ASP 89 CO 0.17 0.10 0.01 -0.36 0.21 0.00 0.00 175.17 175.30 3dxx s PHE 90 N -1.67 0.27 -0.07 4.23 0.08 -0.03 -1.44 117.98 119.36 3dxx s PHE 90 Ca 0.26 0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.37 3dxx s PHE 90 Cb -0.09 -0.39 -0.02 0.00 -0.57 0.00 0.00 43.02 41.95 3dxx s PHE 90 CO 0.17 -0.13 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.81 3dxx s LEU 91 N 1.06 2.49 0.05 -0.37 2.96 -0.14 -1.26 118.68 123.47 3dxx s LEU 91 Ca -0.09 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 3dxx s LEU 91 Cb -0.13 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3dxx s LEU 91 CO -0.02 0.27 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.22 3dxx s GLY 92 N -0.31 1.27 -0.06 7.98 0.00 -0.32 -0.97 107.32 114.91 3dxx s GLY 92 Ca 0.02 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 43.62 3dxx s GLY 92 CO 0.02 -1.08 -0.23 -0.42 0.00 0.00 0.00 173.10 171.40 3dxx s ILE 93 N -0.81 1.87 -0.25 0.90 1.01 -0.21 -0.04 121.20 123.67 3dxx s ILE 93 Ca 0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 3dxx s ILE 93 Cb -0.09 -1.59 0.11 0.00 0.01 0.00 0.00 42.46 40.89 3dxx s ILE 93 CO 0.02 0.52 0.54 -0.70 0.00 0.00 0.00 174.94 175.32 3dxx s GLU 94 N -0.04 0.45 0.47 2.79 2.56 -0.54 -0.02 118.70 124.36 3dxx s GLU 94 Ca -0.05 1.25 0.26 0.00 0.00 0.00 0.00 54.97 56.42 3dxx s GLU 94 Cb -0.14 0.60 0.59 0.00 2.00 0.00 0.00 34.13 37.18 3dxx s GLU 94 CO 0.04 -0.22 1.70 -0.39 -0.56 0.00 0.00 175.26 175.83 3dxx h VAL 95 N 6.07 0.02 -2.43 3.70 -1.51 -1.83 -3.38 116.25 116.89 3dxx h VAL 95 Ca -0.17 -0.90 -0.55 0.00 -1.23 0.00 0.00 66.70 63.84 3dxx h VAL 95 Cb 1.11 1.89 -0.09 0.00 -2.13 0.00 0.00 31.29 32.06 3dxx h VAL 95 CO 0.11 0.01 0.98 -2.28 -1.23 0.00 0.00 177.57 175.16 3dxx s HIS 96 N -3.32 2.35 0.46 5.19 5.04 -1.26 -4.90 115.29 118.84 3dxx s HIS 96 Ca 0.05 -0.11 0.12 0.00 -1.54 0.00 0.00 55.06 53.58 3dxx s HIS 96 Cb 0.06 -4.57 1.04 0.00 0.04 0.00 0.00 32.58 29.15 3dxx s HIS 96 CO 0.64 -2.00 2.07 0.66 -2.34 0.00 0.00 174.74 173.77 3dxx h SER 97 N 9.95 0.18 -0.01 9.88 4.64 -1.98 -1.09 113.55 135.11 3dxx h SER 97 Ca -0.28 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.98 3dxx h SER 97 Cb 1.05 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3dxx h SER 97 CO 1.26 0.18 -0.11 -0.65 -0.87 0.00 0.00 176.83 176.64 3dxx h PRO 98 N 0.21 0.28 -0.49 4.77 0.11 -1.96 -0.95 132.00 133.96 3dxx h PRO 98 Ca 0.05 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3dxx h PRO 98 Cb 0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3dxx h PRO 98 CO -0.00 0.41 0.24 0.78 -0.21 0.00 0.00 178.00 179.21 3dxx h GLY 99 N 0.76 0.76 0.69 -0.55 0.00 -1.41 -1.18 103.07 102.14 3dxx h GLY 99 Ca 0.05 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.05 3dxx h GLY 99 CO 0.02 0.36 0.13 -2.08 0.00 0.00 0.00 176.54 174.97 3dxx h VAL 100 N 0.65 0.90 -0.35 4.60 2.07 -0.98 -1.39 116.25 121.76 3dxx h VAL 100 Ca 0.17 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3dxx h VAL 100 Cb 0.11 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3dxx h VAL 100 CO -0.02 0.05 0.18 1.23 0.02 0.00 0.00 177.57 179.03 3dxx h GLY 101 N 0.29 0.47 0.81 2.17 0.00 -1.05 -1.40 103.07 104.36 3dxx h GLY 101 Ca 0.17 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.41 3dxx h GLY 101 CO -0.17 0.11 0.63 0.00 0.00 0.00 0.00 176.54 177.11 3dxx h ALA 102 N 1.17 1.32 -0.31 3.60 0.00 -0.99 -1.18 119.26 122.86 3dxx h ALA 102 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3dxx h ALA 102 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3dxx h ALA 102 CO -0.09 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.54 3dxx h LEU 104 N 0.39 0.33 -0.48 0.00 3.38 -1.01 0.11 115.31 118.02 3dxx h LEU 104 Ca 0.08 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3dxx h LEU 104 Cb 0.60 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3dxx h LEU 104 CO 0.04 0.25 0.26 0.00 0.09 0.00 0.00 178.44 179.08 3dxx h ALA 105 N 1.09 0.61 -0.30 1.53 0.00 -1.20 0.18 119.26 121.18 3dxx h ALA 105 Ca 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3dxx h ALA 105 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3dxx h ALA 105 CO -0.02 -0.07 -0.01 1.03 0.00 0.00 0.00 179.25 180.18 3dxx h SER 106 N 0.52 0.52 -0.69 0.00 0.87 -1.26 -1.59 113.55 111.92 3dxx h SER 106 Ca 0.20 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3dxx h SER 106 Cb 0.08 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3dxx h SER 106 CO -0.12 0.71 0.45 0.00 -0.53 0.00 0.00 176.83 177.34 3dxx h ALA 107 N 0.83 0.87 -0.07 6.23 0.00 -0.55 -1.17 119.26 125.41 3dxx h ALA 107 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dxx h ALA 107 Cb 0.45 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dxx h ALA 107 CO 0.02 0.29 0.04 1.25 0.00 0.00 0.00 179.25 180.85 3dxx h HIS 108 N 0.93 0.09 -0.61 0.00 6.17 -0.90 -1.62 115.15 119.21 3dxx h HIS 108 Ca 0.25 -0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.43 3dxx h HIS 108 Cb -0.10 -0.03 -0.04 0.00 2.52 0.00 0.00 27.41 29.76 3dxx h HIS 108 CO -0.03 0.12 0.41 1.49 0.71 0.00 0.00 177.93 180.64 3dxx h GLU 109 N 0.03 0.42 -0.05 5.26 4.57 -1.01 -0.36 114.58 123.44 3dxx h GLU 109 Ca 0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dxx h GLU 109 Cb 0.06 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3dxx h GLU 109 CO -0.00 0.28 0.00 0.39 -1.18 0.00 0.00 179.01 178.50 3dxx n GLU 110 N -4.47 1.69 -3.02 1.92 -0.58 -0.47 -4.95 120.64 110.76 3dxx n GLU 110 Ca 0.10 -1.01 -0.20 0.00 -0.42 0.00 0.00 57.16 55.63 3dxx n GLU 110 Cb 0.37 -1.46 0.04 0.00 -0.57 0.00 0.00 31.44 29.81 3dxx n GLU 110 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dxx n GLY 111 N 1.17 -0.38 3.74 0.62 0.00 -0.15 -4.96 105.19 105.24 3dxx n GLY 111 Ca 0.18 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3dxx n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxx s LEU 112 N -6.06 4.47 0.00 0.99 1.43 -0.71 -4.92 118.68 113.88 3dxx s LEU 112 Ca 0.31 2.11 0.11 0.00 -1.03 0.00 0.00 54.13 55.62 3dxx s LEU 112 Cb -0.14 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3dxx s LEU 112 CO 0.39 -0.26 0.51 -1.54 0.23 0.00 0.00 176.35 175.67 3dxx n SER 113 N 2.50 0.70 -1.55 2.29 3.41 -1.26 -4.70 113.62 115.00 3dxx n SER 113 Ca 0.03 -0.85 -0.00 0.00 -0.26 0.00 0.00 58.87 57.79 3dxx n SER 113 Cb 0.46 0.86 0.29 0.00 -0.26 0.00 0.00 64.21 65.56 3dxx n SER 113 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3dxx n ASN 114 N -0.99 4.31 -4.05 4.04 6.94 -1.26 -4.94 115.26 119.32 3dxx n ASN 114 Ca 0.03 -3.22 -0.25 0.00 -0.02 0.00 0.00 54.58 51.12 3dxx n ASN 114 Cb 0.18 -0.67 -0.16 0.00 -2.36 0.00 0.00 39.78 36.77 3dxx n ASN 114 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3dxx s LEU 115 N -2.97 1.72 0.08 -4.53 2.96 -1.26 -0.85 118.68 113.84 3dxx s LEU 115 Ca 0.50 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 3dxx s LEU 115 Cb 0.41 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 3dxx s LEU 115 CO 0.10 0.06 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.88 3dxx s ARG 116 N 0.49 1.05 0.06 1.98 1.81 -0.39 -4.81 118.95 119.14 3dxx s ARG 116 Ca -0.12 -1.04 0.04 0.00 -1.72 0.00 0.00 55.73 52.89 3dxx s ARG 116 Cb -0.14 -1.20 -0.03 0.00 -0.45 0.00 0.00 34.95 33.13 3dxx s ARG 116 CO 0.03 0.28 -0.13 0.14 -0.68 0.00 0.00 175.30 174.95 3dxx s VAL 117 N -1.12 0.97 0.14 3.52 -7.23 0.01 -1.17 120.40 115.51 3dxx s VAL 117 Ca 0.04 -1.22 0.09 0.00 -1.81 0.00 0.00 61.98 59.08 3dxx s VAL 117 Cb -0.10 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 3dxx s VAL 117 CO 0.03 -0.24 -0.21 -0.04 -0.31 0.00 0.00 175.10 174.33 3dxx s MET 118 N -1.64 1.27 -0.59 4.82 -1.94 0.94 -0.50 119.30 121.65 3dxx s MET 118 Ca -0.04 -1.33 0.05 0.00 -1.71 0.00 0.00 55.69 52.66 3dxx s MET 118 Cb -0.10 -1.48 0.20 0.00 2.01 0.00 0.00 34.83 35.46 3dxx s MET 118 CO 0.02 0.33 0.53 0.00 -0.01 0.00 0.00 175.02 175.88 3dxx s HIS 120 N -1.38 -0.45 -0.10 0.00 5.04 -1.26 -4.91 115.29 112.24 3dxx s HIS 120 Ca 0.32 0.51 -0.38 0.00 -1.54 0.00 0.00 55.06 53.97 3dxx s HIS 120 Cb 0.05 0.36 -0.16 0.00 0.04 0.00 0.00 32.58 32.87 3dxx s HIS 120 CO -0.13 -0.65 1.58 -3.47 -2.34 0.00 0.00 174.74 169.73 3dxx n ASP 121 N 0.40 2.19 -0.33 9.88 2.03 -1.26 -4.62 116.55 124.85 3dxx n ASP 121 Ca -0.18 1.09 -0.04 0.00 0.52 0.00 0.00 54.79 56.17 3dxx n ASP 121 Cb 0.60 -1.19 0.08 0.00 -0.72 0.00 0.00 41.12 39.90 3dxx n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dxx h ALA 122 N 6.21 1.13 -0.41 -1.67 0.00 -1.99 -2.21 119.26 120.32 3dxx h ALA 122 Ca -0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3dxx h ALA 122 Cb 1.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3dxx h ALA 122 CO 0.88 0.62 0.21 0.28 0.00 0.00 0.00 179.25 181.24 3dxx h VAL 123 N 1.23 1.17 -0.76 0.00 2.07 -1.99 0.71 116.25 118.68 3dxx h VAL 123 Ca 0.31 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3dxx h VAL 123 Cb 0.00 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3dxx h VAL 123 CO -0.05 0.18 0.49 -0.33 0.02 0.00 0.00 177.57 177.88 3dxx h GLU 124 N 0.53 0.93 -0.59 1.57 5.08 -1.90 -0.28 114.58 119.92 3dxx h GLU 124 Ca 0.14 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3dxx h GLU 124 Cb 0.10 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3dxx h GLU 124 CO -0.02 0.62 0.29 0.28 -1.00 0.00 0.00 179.01 179.18 3dxx h VAL 125 N 0.96 1.21 -0.30 3.13 2.07 -1.02 0.56 116.25 122.86 3dxx h VAL 125 Ca 0.30 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3dxx h VAL 125 Cb -0.01 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3dxx h VAL 125 CO -0.10 0.23 0.18 -0.07 0.02 0.00 0.00 177.57 177.83 3dxx h LEU 126 N 0.80 0.35 -0.25 2.57 3.38 -0.49 0.17 115.31 121.83 3dxx h LEU 126 Ca 0.20 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3dxx h LEU 126 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3dxx h LEU 126 CO -0.03 0.29 0.03 0.45 0.09 0.00 0.00 178.44 179.28 3dxx h HIS 127 N 0.38 0.46 0.01 1.13 3.86 -0.86 -3.30 115.15 116.84 3dxx h HIS 127 Ca 0.11 -0.07 -0.32 0.00 -1.16 0.00 0.00 60.37 58.93 3dxx h HIS 127 Cb 0.00 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.30 3dxx h HIS 127 CO -0.04 0.56 -1.90 1.63 0.86 0.00 0.00 177.93 179.04 3dxx n LYS 128 N -4.67 0.66 0.00 2.45 4.76 0.17 -4.74 118.16 116.79 3dxx n LYS 128 Ca -0.03 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3dxx n LYS 128 Cb 0.21 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 3dxx n LYS 128 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3dxx n MET 129 N -3.04 1.72 -3.53 1.97 2.81 0.56 -3.35 117.12 114.26 3dxx n MET 129 Ca -0.22 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.28 3dxx n MET 129 Cb 1.07 -0.85 -0.10 0.00 -0.71 0.00 0.00 33.22 32.62 3dxx n MET 129 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dxx s ILE 130 N -1.63 5.27 0.50 2.02 -1.09 -1.01 -0.61 121.20 124.65 3dxx s ILE 130 Ca 0.00 0.18 -0.22 0.00 -2.23 0.00 0.00 60.65 58.38 3dxx s ILE 130 Cb 0.00 -3.60 -0.07 0.00 -1.58 0.00 0.00 42.46 37.21 3dxx s ILE 130 CO 0.00 0.18 1.17 -2.84 -1.23 0.00 0.00 174.94 172.22 3dxx s PRO 131 N 1.83 3.55 0.59 2.79 0.02 -1.26 -4.84 135.00 137.68 3dxx s PRO 131 Ca 0.09 1.77 -0.19 0.00 0.02 0.00 0.00 61.00 62.68 3dxx s PRO 131 Cb -0.16 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 3dxx s PRO 131 CO 0.11 -0.72 0.98 -0.25 -0.33 0.00 0.00 177.00 176.78 3dxx n ASP 132 N -0.82 0.84 -1.73 2.53 8.00 -1.26 -3.26 116.55 120.86 3dxx n ASP 132 Ca 0.09 0.82 -0.21 0.00 0.71 0.00 0.00 54.79 56.21 3dxx n ASP 132 Cb 0.49 -1.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.12 3dxx n ASP 132 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dxx n ASN 133 N -0.68 -5.58 -0.01 -2.24 3.02 -0.16 -4.86 115.26 104.75 3dxx n ASN 133 Ca 0.13 0.43 0.11 0.00 -0.03 0.00 0.00 54.58 55.22 3dxx n ASN 133 Cb 0.47 -4.86 -0.16 0.00 -0.61 0.00 0.00 39.78 34.61 3dxx n ASN 133 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3dxx n SER 134 N -1.47 0.13 -4.74 6.41 3.41 -0.49 -3.67 113.62 113.19 3dxx n SER 134 Ca -0.22 -0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 57.93 3dxx n SER 134 Cb 0.69 1.85 -0.08 0.00 -0.26 0.00 0.00 64.21 66.40 3dxx n SER 134 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dxx s LEU 135 N -4.36 3.91 0.10 1.04 1.43 0.28 -4.58 118.68 116.50 3dxx s LEU 135 Ca -0.06 0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.21 3dxx s LEU 135 Cb 0.14 -1.93 -0.18 0.00 0.03 0.00 0.00 46.19 44.25 3dxx s LEU 135 CO 0.90 0.36 1.23 -0.09 0.23 0.00 0.00 176.35 178.97 3dxx h ARG 136 N 5.35 0.50 -2.54 1.70 9.65 -1.29 -0.82 114.38 126.94 3dxx h ARG 136 Ca -0.50 -0.59 -0.09 0.00 -1.10 0.00 0.00 59.98 57.70 3dxx h ARG 136 Cb 1.20 0.18 -0.21 0.00 -1.39 0.00 0.00 29.97 29.75 3dxx h ARG 136 CO 0.58 1.22 -0.09 1.41 2.80 0.00 0.00 179.97 185.89 3dxx s MET 137 N -3.16 0.73 -0.09 0.20 1.75 -1.21 -2.33 119.30 115.19 3dxx s MET 137 Ca -0.07 0.34 0.03 0.00 -1.25 0.00 0.00 55.69 54.74 3dxx s MET 137 Cb 0.08 0.34 0.01 0.00 2.84 0.00 0.00 34.83 38.10 3dxx s MET 137 CO 0.89 -0.16 -0.16 0.08 -0.65 0.00 0.00 175.02 175.02 3dxx s VAL 138 N -0.53 1.50 -0.08 10.11 1.01 -0.48 -0.74 120.40 131.18 3dxx s VAL 138 Ca -0.07 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3dxx s VAL 138 Cb -0.03 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3dxx s VAL 138 CO 0.04 0.44 -0.12 -1.10 0.00 0.00 0.00 175.10 174.36 3dxx s GLN 139 N 0.68 2.86 -0.32 2.72 -0.21 0.61 -0.70 119.66 125.30 3dxx s GLN 139 Ca -0.13 -0.65 -0.02 0.00 0.02 0.00 0.00 55.36 54.58 3dxx s GLN 139 Cb -0.16 -2.52 0.11 0.00 1.00 0.00 0.00 33.01 31.44 3dxx s GLN 139 CO 0.03 0.50 0.15 -1.17 -2.12 0.00 0.00 175.29 172.69 3dxx s LEU 140 N -0.39 1.24 -0.22 2.90 2.96 0.66 -0.65 118.68 125.19 3dxx s LEU 140 Ca 0.05 -1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 52.17 3dxx s LEU 140 Cb -0.12 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 3dxx s LEU 140 CO 0.02 -0.38 0.02 -0.36 -1.32 0.00 0.00 176.35 174.33 3dxx s PHE 141 N 1.56 3.05 -1.32 5.38 0.08 -1.26 -1.09 117.98 124.38 3dxx s PHE 141 Ca 0.12 -0.48 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 3dxx s PHE 141 Cb -0.19 -2.13 -0.00 0.00 -0.57 0.00 0.00 43.02 40.12 3dxx s PHE 141 CO -0.21 -0.29 0.59 1.19 -0.10 0.00 0.00 175.22 176.40 3dxx n PHE 142 N 4.48 -1.81 -1.81 0.36 3.72 0.17 -4.94 117.46 117.64 3dxx n PHE 142 Ca -0.17 0.75 -0.36 0.00 -0.05 0.00 0.00 57.45 57.61 3dxx n PHE 142 Cb 0.52 -3.98 0.06 0.00 -0.94 0.00 0.00 39.48 35.13 3dxx n PHE 142 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dxx s PRO 143 N -6.19 2.66 -0.46 -1.08 0.04 -1.26 -4.80 135.00 123.91 3dxx s PRO 143 Ca 0.08 1.97 -0.44 0.00 0.04 0.00 0.00 61.00 62.64 3dxx s PRO 143 Cb -0.02 -1.87 -0.18 0.00 0.04 0.00 0.00 34.50 32.46 3dxx s PRO 143 CO 0.85 -1.49 1.87 -3.47 0.04 0.00 0.00 177.00 174.80 3dxx n ASP 144 N -1.85 1.24 0.20 6.66 -0.08 -1.26 -4.83 116.55 116.63 3dxx n ASP 144 Ca 0.15 0.93 0.13 0.00 -1.51 0.00 0.00 54.79 54.48 3dxx n ASP 144 Cb 0.49 -0.95 0.29 0.00 2.34 0.00 0.00 41.12 43.30 3dxx n ASP 144 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3dxx h PRO 145 N 7.33 0.00 -6.27 -0.67 0.13 -1.99 -3.44 132.00 127.08 3dxx h PRO 145 Ca -0.30 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.38 3dxx h PRO 145 Cb 1.38 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.58 3dxx h PRO 145 CO 1.02 0.00 -0.93 0.91 -0.23 0.00 0.00 178.00 178.77 3dxx n TRP 146 N -2.91 -1.86 -0.31 1.56 7.02 -1.26 -4.81 117.44 114.86 3dxx n TRP 146 Ca 0.04 0.47 0.09 0.00 -1.02 0.00 0.00 57.50 57.08 3dxx n TRP 146 Cb 0.47 -3.47 0.18 0.00 -2.42 0.00 0.00 31.31 26.07 3dxx n TRP 146 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3dxx n HIS 147 N -4.24 0.42 -1.90 -5.99 8.25 -1.26 -4.49 115.22 106.01 3dxx n HIS 147 Ca -0.12 1.07 -0.42 0.00 -0.26 0.00 0.00 57.72 58.00 3dxx n HIS 147 Cb 0.60 -1.08 -0.02 0.00 1.12 0.00 0.00 29.99 30.61 3dxx n HIS 147 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3dxx s LYS 148 N -6.00 4.20 0.34 -0.41 1.02 -1.26 -4.92 119.74 112.71 3dxx s LYS 148 Ca -0.12 2.42 0.06 0.00 0.02 0.00 0.00 55.97 58.34 3dxx s LYS 148 Cb 0.25 -3.09 0.72 0.00 -0.52 0.00 0.00 37.83 35.18 3dxx s LYS 148 CO 0.69 -0.56 1.90 0.00 -0.92 0.00 0.00 175.35 176.46 3dxx h ALA 149 N 5.60 1.71 0.00 5.17 0.00 -2.00 -0.79 119.26 128.94 3dxx h ALA 149 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dxx h ALA 149 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3dxx h ALA 149 CO 0.83 0.11 0.00 0.07 0.00 0.00 0.00 179.25 180.26 3dxx h ARG 150 N 0.80 0.00 -0.51 0.00 0.11 -1.92 -2.25 114.38 110.60 3dxx h ARG 150 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 3dxx h ARG 150 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 3dxx h ARG 150 CO -0.17 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.62 3dxx n HIS 151 N -2.55 0.68 -0.22 4.08 8.25 -0.31 -4.73 115.22 120.41 3dxx n HIS 151 Ca -0.00 -0.46 0.14 0.00 -0.26 0.00 0.00 57.72 57.14 3dxx n HIS 151 Cb 0.16 -0.01 0.45 0.00 1.12 0.00 0.00 29.99 31.70 3dxx n HIS 151 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 3dxx h ASN 152 N 3.24 0.51 0.93 0.41 7.08 -1.34 0.11 115.58 126.52 3dxx h ASN 152 Ca 0.00 0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 3dxx h ASN 152 Cb 0.86 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.03 3dxx h ASN 152 CO 0.00 0.25 0.00 0.29 -2.08 0.00 0.00 177.43 175.89 3dxx n LYS 153 N -4.52 0.17 0.23 4.14 4.76 -1.26 -2.29 118.16 119.40 3dxx n LYS 153 Ca 0.16 0.31 0.14 0.00 -2.87 0.00 0.00 58.31 56.06 3dxx n LYS 153 Cb 0.52 -1.78 0.43 0.00 -1.84 0.00 0.00 35.03 32.36 3dxx n LYS 153 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxx h ARG 154 N 0.00 0.00 -6.54 1.97 3.08 -1.13 -3.44 114.38 108.32 3dxx h ARG 154 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3dxx h ARG 154 Cb 0.46 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.56 3dxx h ARG 154 CO 0.00 0.00 1.05 1.03 -1.07 0.00 0.00 179.97 180.98 3dxx s ARG 155 N -3.41 4.15 0.30 0.04 0.52 -0.97 -4.90 118.95 114.69 3dxx s ARG 155 Ca 0.05 2.53 0.06 0.00 -0.52 0.00 0.00 55.73 57.85 3dxx s ARG 155 Cb 0.07 -3.44 0.49 0.00 0.52 0.00 0.00 34.95 32.59 3dxx s ARG 155 CO 0.59 -0.78 1.74 0.97 0.02 0.00 0.00 175.30 177.84 3dxx h ILE 156 N 4.44 1.28 -2.74 1.52 2.10 -1.86 -3.40 117.51 118.85 3dxx h ILE 156 Ca -0.44 -1.34 -0.54 0.00 1.08 0.00 0.00 64.86 63.61 3dxx h ILE 156 Cb 1.21 1.52 -0.06 0.00 -1.09 0.00 0.00 36.82 38.40 3dxx h ILE 156 CO 0.94 0.41 1.13 -0.69 -1.08 0.00 0.00 178.15 178.87 3dxx s VAL 157 N -4.33 3.73 0.19 2.19 1.01 -1.26 -4.71 120.40 117.22 3dxx s VAL 157 Ca -0.05 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 3dxx s VAL 157 Cb 0.14 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 3dxx s VAL 157 CO 0.77 -1.09 0.27 -1.10 0.00 0.00 0.00 175.10 173.95 3dxx s GLN 158 N 5.64 1.24 0.12 2.72 -1.52 -1.26 -4.87 119.66 121.72 3dxx s GLN 158 Ca 0.55 -1.34 -0.24 0.00 -1.95 0.00 0.00 55.36 52.38 3dxx s GLN 158 Cb -0.12 0.36 -0.06 0.00 -0.22 0.00 0.00 33.01 32.97 3dxx s GLN 158 CO 0.25 -0.45 1.66 0.28 -0.25 0.00 0.00 175.29 176.79 3dxx h VAL 159 N 2.53 0.57 -0.96 1.09 2.07 -1.91 -1.25 116.25 118.39 3dxx h VAL 159 Ca -0.32 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3dxx h VAL 159 Cb 1.24 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3dxx h VAL 159 CO 0.48 0.00 0.63 -0.65 0.02 0.00 0.00 177.57 178.04 3dxx h PRO 160 N -0.29 1.17 -0.32 1.57 0.11 -1.98 0.27 132.00 132.53 3dxx h PRO 160 Ca 0.05 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3dxx h PRO 160 Cb 0.36 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3dxx h PRO 160 CO -0.17 0.78 0.13 0.35 -0.21 0.00 0.00 178.00 178.87 3dxx h PHE 161 N 1.21 0.49 -0.35 0.65 3.57 -1.76 -1.61 116.94 119.13 3dxx h PHE 161 Ca 0.38 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 3dxx h PHE 161 Cb 0.01 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3dxx h PHE 161 CO -0.00 0.47 -0.16 0.00 -2.23 0.00 0.00 178.31 176.38 3dxx h ALA 162 N 0.97 1.06 -0.41 2.41 0.00 -0.82 -1.03 119.26 121.44 3dxx h ALA 162 Ca 0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dxx h ALA 162 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3dxx h ALA 162 CO -0.01 0.57 0.25 0.93 0.00 0.00 0.00 179.25 181.00 3dxx h GLU 163 N 0.57 0.56 -0.33 0.00 4.39 -0.88 -1.38 114.58 117.51 3dxx h GLU 163 Ca 0.09 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3dxx h GLU 163 Cb 0.61 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3dxx h GLU 163 CO 0.04 0.41 0.22 1.25 -1.16 0.00 0.00 179.01 179.77 3dxx h LEU 164 N 0.55 0.38 -0.64 1.33 5.85 -0.84 -1.64 115.31 120.29 3dxx h LEU 164 Ca 0.15 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3dxx h LEU 164 Cb -0.01 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3dxx h LEU 164 CO -0.03 0.27 0.36 0.58 -0.34 0.00 0.00 178.44 179.28 3dxx h VAL 165 N 0.44 0.98 -0.97 1.05 2.07 -1.12 -2.62 116.25 116.10 3dxx h VAL 165 Ca 0.12 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3dxx h VAL 165 Cb -0.05 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 3dxx h VAL 165 CO -0.03 0.12 0.63 0.50 0.02 0.00 0.00 177.57 178.82 3dxx h LYS 166 N 0.67 1.28 0.00 1.57 3.64 -0.69 -1.54 116.57 121.50 3dxx h LYS 166 Ca 0.28 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3dxx h LYS 166 Cb 0.16 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3dxx h LYS 166 CO -0.17 0.85 -0.01 0.66 -2.27 0.00 0.00 179.45 178.51 3dxx h SER 167 N 1.31 0.00 0.40 4.20 4.64 -0.93 -2.36 113.55 120.81 3dxx h SER 167 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3dxx h SER 167 Cb -0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3dxx h SER 167 CO -0.08 0.01 -1.03 0.29 -0.87 0.00 0.00 176.83 175.15 3dxx n LYS 168 N -3.15 0.27 -2.83 4.77 4.76 -0.61 -0.99 118.16 120.38 3dxx n LYS 168 Ca -0.02 -0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 55.02 3dxx n LYS 168 Cb 0.17 -1.58 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 3dxx n LYS 168 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dxx s LEU 169 N -3.85 4.60 0.68 -0.35 1.43 -0.89 -0.56 118.68 119.74 3dxx s LEU 169 Ca 0.04 1.84 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 3dxx s LEU 169 Cb 0.15 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.82 3dxx s LEU 169 CO 0.80 0.15 1.13 0.00 0.23 0.00 0.00 176.35 178.66 3dxx s GLN 170 N -1.28 2.63 0.29 1.70 -2.07 -0.31 -4.00 119.66 116.62 3dxx s GLN 170 Ca 0.40 1.44 -0.30 0.00 -1.82 0.00 0.00 55.36 55.09 3dxx s GLN 170 Cb -0.24 -1.92 -0.12 0.00 -1.09 0.00 0.00 33.01 29.63 3dxx s GLN 170 CO 0.29 -1.39 1.43 1.28 -1.32 0.00 0.00 175.29 175.59 3dxx n LEU 171 N -2.55 3.66 0.00 2.60 4.77 -1.26 -0.86 117.00 123.36 3dxx n LEU 171 Ca 0.11 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 3dxx n LEU 171 Cb 0.52 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 3dxx n LEU 171 CO 0.48 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3dxx n GLY 172 N 1.71 2.13 3.75 -0.72 0.00 -0.36 -5.00 105.19 106.69 3dxx n GLY 172 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3dxx n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dxx s GLY 173 N -1.97 1.66 -0.05 -0.02 0.00 -0.04 -4.71 107.32 102.20 3dxx s GLY 173 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.92 3dxx s GLY 173 CO 0.00 0.55 -0.18 0.14 0.00 0.00 0.00 173.10 173.61 3dxx s VAL 174 N -2.91 1.51 -0.36 1.40 1.01 -0.98 -0.61 120.40 119.46 3dxx s VAL 174 Ca 0.62 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 3dxx s VAL 174 Cb -0.17 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3dxx s VAL 174 CO 0.56 0.43 0.33 0.12 0.00 0.00 0.00 175.10 176.55 3dxx s PHE 175 N 0.05 3.21 -0.25 5.22 5.36 -0.19 -1.38 117.98 130.01 3dxx s PHE 175 Ca -0.05 -0.19 -0.02 0.00 -0.96 0.00 0.00 56.93 55.71 3dxx s PHE 175 Cb -0.12 -2.64 0.02 0.00 -0.34 0.00 0.00 43.02 39.94 3dxx s PHE 175 CO 0.03 -0.47 -0.05 -1.58 -1.46 0.00 0.00 175.22 171.69 3dxx s HIS 176 N 1.91 3.05 0.19 10.12 5.65 0.12 -1.70 115.29 134.63 3dxx s HIS 176 Ca 0.09 -1.42 0.11 0.00 0.25 0.00 0.00 55.06 54.10 3dxx s HIS 176 Cb -0.17 -2.08 -0.04 0.00 -1.18 0.00 0.00 32.58 29.11 3dxx s HIS 176 CO 0.11 -0.69 -0.22 0.00 -0.65 0.00 0.00 174.74 173.29 3dxx s MET 177 N 1.36 1.61 0.00 2.88 0.23 -0.34 -0.24 119.30 124.80 3dxx s MET 177 Ca 0.01 -1.49 -0.01 0.00 -1.03 0.00 0.00 55.69 53.18 3dxx s MET 177 Cb -0.16 -1.90 -0.01 0.00 -1.53 0.00 0.00 34.83 31.24 3dxx s MET 177 CO -0.04 0.40 0.00 0.00 -2.03 0.00 0.00 175.02 173.36 3dxx s ALA 178 N -1.69 0.01 -0.02 3.16 0.00 -0.25 -1.20 121.76 121.78 3dxx s ALA 178 Ca 0.22 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 3dxx s ALA 178 Cb -0.08 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3dxx s ALA 178 CO 0.11 -0.08 0.24 -0.08 0.00 0.00 0.00 175.76 175.95 3dxx s THR 179 N -0.62 0.06 -1.75 0.00 -1.32 -0.35 -0.65 115.64 111.01 3dxx s THR 179 Ca -0.07 -0.50 0.20 0.00 -1.21 0.00 0.00 61.69 60.11 3dxx s THR 179 Cb -0.04 -0.52 0.64 0.00 -1.51 0.00 0.00 72.50 71.08 3dxx s THR 179 CO -0.00 -0.28 1.54 -0.90 -2.21 0.00 0.00 174.62 172.77 3dxx n ASP 180 N 1.54 4.02 -4.08 8.08 5.75 -1.26 -0.19 116.55 130.40 3dxx n ASP 180 Ca -0.21 -2.13 -0.33 0.00 -0.01 0.00 0.00 54.79 52.12 3dxx n ASP 180 Cb 0.56 -0.50 -0.15 0.00 -1.03 0.00 0.00 41.12 40.00 3dxx n ASP 180 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3dxx s TRP 181 N -1.29 3.44 0.24 2.11 -0.11 -1.26 -4.85 118.94 117.22 3dxx s TRP 181 Ca 0.48 -2.46 -0.06 0.00 1.22 0.00 0.00 56.10 55.28 3dxx s TRP 181 Cb 0.27 -2.35 0.35 0.00 -1.50 0.00 0.00 33.47 30.24 3dxx s TRP 181 CO 0.30 -0.89 1.81 1.49 -4.62 0.00 0.00 176.95 175.03 3dxx h GLU 182 N 7.78 0.76 -0.90 5.86 4.81 -1.94 -0.77 114.58 130.19 3dxx h GLU 182 Ca -0.14 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3dxx h GLU 182 Cb 1.04 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.18 3dxx h GLU 182 CO 0.51 0.50 0.58 -1.35 -0.73 0.00 0.00 179.01 178.53 3dxx h PRO 183 N 0.79 0.95 -0.48 0.92 0.11 -1.99 -0.32 132.00 131.97 3dxx h PRO 183 Ca 0.37 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.35 3dxx h PRO 183 Cb 0.30 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 3dxx h PRO 183 CO -0.22 0.63 0.02 -0.92 -0.21 0.00 0.00 178.00 177.29 3dxx h TYR 184 N 0.98 0.90 -0.63 0.65 5.03 -1.52 -1.38 116.97 120.99 3dxx h TYR 184 Ca 0.40 -0.15 0.05 0.00 2.58 0.00 0.00 58.73 61.61 3dxx h TYR 184 Cb 0.28 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.27 3dxx h TYR 184 CO -0.00 0.85 0.35 0.00 -1.32 0.00 0.00 178.16 178.04 3dxx h ALA 185 N 0.93 0.84 -0.55 1.82 0.00 -0.52 0.40 119.26 122.19 3dxx h ALA 185 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3dxx h ALA 185 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3dxx h ALA 185 CO 0.02 0.04 -0.03 0.93 0.00 0.00 0.00 179.25 180.20 3dxx h GLU 186 N 0.66 0.99 -0.20 0.00 5.08 -0.99 -1.03 114.58 119.09 3dxx h GLU 186 Ca 0.28 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3dxx h GLU 186 Cb 0.15 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3dxx h GLU 186 CO -0.17 1.01 0.09 1.25 -1.00 0.00 0.00 179.01 180.20 3dxx h HIS 187 N 0.87 0.29 -0.56 4.33 2.76 -0.66 -1.47 115.15 120.72 3dxx h HIS 187 Ca 0.15 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.40 3dxx h HIS 187 Cb 0.58 -0.09 -0.08 0.00 1.55 0.00 0.00 27.41 29.38 3dxx h HIS 187 CO 0.04 0.31 0.14 0.52 -1.30 0.00 0.00 177.93 177.64 3dxx h MET 188 N 0.19 0.28 -0.77 5.26 2.86 -0.03 -0.96 114.93 121.75 3dxx h MET 188 Ca 0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3dxx h MET 188 Cb 0.13 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3dxx h MET 188 CO -0.01 0.18 0.35 1.25 1.06 0.00 0.00 176.91 179.75 3dxx h LEU 189 N 0.28 1.02 -0.23 1.22 5.85 -1.07 -1.01 115.31 121.37 3dxx h LEU 189 Ca 0.28 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3dxx h LEU 189 Cb 0.39 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3dxx h LEU 189 CO -0.35 0.88 0.11 -0.08 -0.34 0.00 0.00 178.44 178.67 3dxx h GLU 190 N 1.09 0.34 0.06 1.25 4.81 -0.64 -1.08 114.58 120.41 3dxx h GLU 190 Ca 0.26 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3dxx h GLU 190 Cb 0.14 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3dxx h GLU 190 CO -0.03 0.35 -0.09 0.28 -0.73 0.00 0.00 179.01 178.80 3dxx h VAL 191 N 0.24 0.79 -0.56 0.32 2.07 -1.03 -2.96 116.25 115.13 3dxx h VAL 191 Ca 0.08 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 3dxx h VAL 191 Cb 0.13 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3dxx h VAL 191 CO -0.01 0.00 -0.09 0.24 0.02 0.00 0.00 177.57 177.73 3dxx h MET 192 N -0.18 1.05 0.00 1.57 2.86 -1.08 -2.63 114.93 116.51 3dxx h MET 192 Ca 0.01 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 3dxx h MET 192 Cb 0.19 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3dxx h MET 192 CO -0.05 1.07 -0.05 0.77 1.06 0.00 0.00 176.91 179.72 3dxx h SER 193 N 0.93 0.00 0.58 1.22 0.02 -1.20 -2.88 113.55 112.23 3dxx h SER 193 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3dxx h SER 193 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3dxx h SER 193 CO 0.05 0.05 -0.21 -1.54 -1.14 0.00 0.00 176.83 174.04 3dxx n SER 194 N -3.33 0.38 -4.42 3.07 3.41 -0.99 -4.83 113.62 106.91 3dxx n SER 194 Ca -0.02 -0.19 -0.39 0.00 -0.26 0.00 0.00 58.87 58.02 3dxx n SER 194 Cb 0.21 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.96 3dxx n SER 194 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dxx s ILE 195 N -2.79 4.56 0.23 -1.33 1.01 -1.09 -5.06 121.20 116.73 3dxx s ILE 195 Ca 0.19 -0.56 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 3dxx s ILE 195 Cb 0.19 -3.39 -0.12 0.00 0.01 0.00 0.00 42.46 39.15 3dxx s ILE 195 CO 0.56 -0.02 1.63 -0.67 0.00 0.00 0.00 174.94 176.44 3dxx n ASP 196 N 4.98 3.69 0.00 3.58 2.03 -1.26 -2.46 116.55 127.10 3dxx n ASP 196 Ca -0.13 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.28 3dxx n ASP 196 Cb 0.48 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 3dxx n ASP 196 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dxx n GLY 197 N 3.11 0.32 3.51 0.27 0.00 -1.26 -4.89 105.19 106.24 3dxx n GLY 197 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3dxx n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxx s TYR 198 N -2.00 3.10 -0.21 1.61 2.02 -1.03 -0.19 117.35 120.64 3dxx s TYR 198 Ca 0.00 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3dxx s TYR 198 Cb 0.00 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 3dxx s TYR 198 CO 0.00 -0.09 -0.06 0.21 -1.57 0.00 0.00 175.55 174.03 3dxx s LYS 199 N 0.74 3.34 0.04 -0.62 2.20 0.61 -4.93 119.74 121.13 3dxx s LYS 199 Ca 0.01 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 3dxx s LYS 199 Cb -0.14 -2.95 -0.08 0.00 -1.51 0.00 0.00 37.83 33.16 3dxx s LYS 199 CO 0.02 -0.18 1.65 1.21 -0.36 0.00 0.00 175.35 177.69 3dxx s ASN 200 N 1.40 6.62 0.00 1.43 3.84 -1.26 -0.58 114.94 126.40 3dxx s ASN 200 Ca 0.05 2.43 0.28 0.00 0.21 0.00 0.00 52.86 55.83 3dxx s ASN 200 Cb -0.14 -2.56 1.17 0.00 -0.55 0.00 0.00 41.25 39.17 3dxx s ASN 200 CO -0.04 -0.89 1.83 0.18 -2.79 0.00 0.00 177.10 175.40 3dxx n LEU 201 N 5.90 0.39 -4.71 3.21 4.77 -0.48 -4.83 117.00 121.26 3dxx n LEU 201 Ca 0.16 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.80 3dxx n LEU 201 Cb 0.41 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3dxx n LEU 201 CO 0.63 0.08 1.17 -0.55 -1.33 0.00 0.00 177.39 177.38 3dxx s SER 202 N -2.60 6.72 0.42 -1.43 0.15 -1.26 -4.91 113.70 110.79 3dxx s SER 202 Ca 0.25 2.41 0.28 0.00 0.70 0.00 0.00 55.95 59.59 3dxx s SER 202 Cb 0.20 -2.58 0.97 0.00 -1.71 0.00 0.00 66.02 62.90 3dxx s SER 202 CO 0.50 -0.76 1.81 -0.33 1.20 0.00 0.00 173.24 175.67 3dxx h GLU 203 N 7.25 0.00 -0.60 5.44 5.08 -1.88 -2.75 114.58 127.12 3dxx h GLU 203 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3dxx h GLU 203 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3dxx h GLU 203 CO 0.90 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.78 3dxx n SER 204 N -2.81 5.17 -2.19 1.42 3.41 -1.26 -4.95 113.62 112.40 3dxx n SER 204 Ca 0.02 -2.68 -0.18 0.00 -0.26 0.00 0.00 58.87 55.78 3dxx n SER 204 Cb 0.36 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 3dxx n SER 204 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3dxx n ASN 205 N 0.85 -5.13 0.00 4.04 5.15 -1.04 -4.79 115.26 114.34 3dxx n ASN 205 Ca 0.27 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 3dxx n ASN 205 Cb 1.03 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.91 3dxx n ASN 205 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3dxx n ASP 206 N -1.72 0.00 -4.41 1.20 5.68 -1.26 -5.03 116.55 111.00 3dxx n ASP 206 Ca -0.21 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 53.83 3dxx n ASP 206 Cb 0.65 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.52 3dxx n ASP 206 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3dxx s TYR 207 N -0.41 2.20 0.17 2.11 2.02 -1.26 -4.81 117.35 117.36 3dxx s TYR 207 Ca 0.00 -0.38 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 3dxx s TYR 207 Cb 0.00 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 3dxx s TYR 207 CO 0.00 0.49 0.00 0.14 -1.57 0.00 0.00 175.55 174.61 3dxx s VAL 208 N -1.83 3.76 0.41 0.71 -7.23 -0.48 -4.60 120.40 111.14 3dxx s VAL 208 Ca 0.21 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.73 3dxx s VAL 208 Cb -0.07 -2.88 -0.10 0.00 0.56 0.00 0.00 36.38 33.89 3dxx s VAL 208 CO 0.10 -0.09 1.33 -0.81 -0.31 0.00 0.00 175.10 175.32 3dxx n PRO 209 N -0.07 2.11 -1.68 4.82 -0.04 -1.26 -4.33 135.00 134.54 3dxx n PRO 209 Ca -0.10 0.75 -0.52 0.00 -0.04 0.00 0.00 63.50 63.59 3dxx n PRO 209 Cb 0.55 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 3dxx n PRO 209 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3dxx n ARG 210 N 0.10 1.68 -2.17 0.54 0.63 -1.26 -4.98 116.66 111.20 3dxx n ARG 210 Ca 0.05 0.61 -0.26 0.00 -0.92 0.00 0.00 57.85 57.33 3dxx n ARG 210 Cb 0.39 -2.37 0.07 0.00 0.45 0.00 0.00 32.46 31.00 3dxx n ARG 210 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3dxx s PRO 211 N 3.24 2.26 0.56 -0.14 0.04 -1.26 -4.96 135.00 134.74 3dxx s PRO 211 Ca 0.93 -0.16 0.26 0.00 0.04 0.00 0.00 61.00 62.07 3dxx s PRO 211 Cb -0.86 -2.15 1.63 0.00 0.04 0.00 0.00 34.50 33.16 3dxx s PRO 211 CO 0.55 -1.23 2.20 0.00 0.04 0.00 0.00 177.00 178.57 3dxx h ALA 212 N -0.62 1.60 0.00 8.56 0.00 -2.03 -2.33 119.26 124.45 3dxx h ALA 212 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dxx h ALA 212 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3dxx h ALA 212 CO 0.61 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 3dxx n SER 213 N -3.99 0.00 -3.88 0.00 3.41 -1.26 -4.50 113.62 103.40 3dxx n SER 213 Ca -0.03 -0.06 -0.22 0.00 -0.26 0.00 0.00 58.87 58.30 3dxx n SER 213 Cb 0.11 -0.20 -0.17 0.00 -0.26 0.00 0.00 64.21 63.69 3dxx n SER 213 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3dxx s ARG 214 N -2.40 0.92 0.55 4.33 3.52 -0.88 -4.97 118.95 120.02 3dxx s ARG 214 Ca 0.15 -0.10 -0.15 0.00 -0.13 0.00 0.00 55.73 55.50 3dxx s ARG 214 Cb 0.09 -0.99 -0.06 0.00 -1.56 0.00 0.00 34.95 32.43 3dxx s ARG 214 CO 0.19 -0.14 1.00 -2.14 -0.81 0.00 0.00 175.30 173.41 3dxx s PRO 215 N 1.20 3.81 0.38 5.12 0.02 -1.26 -4.68 135.00 139.58 3dxx s PRO 215 Ca -0.06 0.91 -0.28 0.00 0.02 0.00 0.00 61.00 61.59 3dxx s PRO 215 Cb -0.14 -2.11 -0.11 0.00 0.02 0.00 0.00 34.50 32.16 3dxx s PRO 215 CO -0.02 -0.39 1.45 0.28 -0.33 0.00 0.00 177.00 177.99 3dxx n VAL 216 N -1.95 2.04 -4.31 3.83 0.31 -1.26 -5.04 118.33 111.95 3dxx n VAL 216 Ca 0.07 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.61 3dxx n VAL 216 Cb 0.54 -1.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.51 3dxx n VAL 216 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dxx s THR 217 N -1.12 1.72 -0.27 2.52 -4.23 -1.26 -5.04 115.64 107.97 3dxx s THR 217 Ca 0.54 -1.77 0.28 0.00 -1.18 0.00 0.00 61.69 59.56 3dxx s THR 217 Cb -0.49 -2.49 0.31 0.00 1.34 0.00 0.00 72.50 71.17 3dxx s THR 217 CO 0.63 0.00 1.82 0.11 -0.54 0.00 0.00 174.62 176.64 3dxx h LYS 218 N 1.25 0.00 0.00 3.99 1.57 -2.03 -2.66 116.57 118.69 3dxx h LYS 218 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3dxx h LYS 218 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3dxx h LYS 218 CO 0.69 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.76 3dxx n PHE 219 N -2.61 0.00 -4.84 -1.35 3.01 -1.26 -4.87 117.46 105.54 3dxx n PHE 219 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.15 3dxx n PHE 219 Cb 0.29 -0.08 -0.15 0.00 -0.01 0.00 0.00 39.48 39.53 3dxx n PHE 219 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3dxx s GLU 220 N -2.15 3.34 -0.64 -1.08 2.12 -1.00 -4.64 118.70 114.64 3dxx s GLU 220 Ca 0.43 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 55.08 3dxx s GLU 220 Cb 0.21 -2.59 0.16 0.00 0.26 0.00 0.00 34.13 32.17 3dxx s GLU 220 CO 0.39 0.21 0.42 -0.65 -0.54 0.00 0.00 175.26 175.10 3dxx s GLN 221 N 0.34 2.34 0.11 4.30 -1.52 0.12 -4.86 119.66 120.49 3dxx s GLN 221 Ca -0.12 -3.03 -0.33 0.00 -1.95 0.00 0.00 55.36 49.94 3dxx s GLN 221 Cb -0.16 -3.44 -0.12 0.00 -0.22 0.00 0.00 33.01 29.07 3dxx s GLN 221 CO 0.06 -1.21 1.74 0.54 -0.25 0.00 0.00 175.29 176.17 3dxx n ARG 222 N 2.51 2.45 -0.99 2.91 5.12 -1.26 -1.53 116.66 125.86 3dxx n ARG 222 Ca 0.14 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 3dxx n ARG 222 Cb 0.34 -2.72 0.00 0.00 -1.16 0.00 0.00 32.46 28.92 3dxx n ARG 222 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dxx n GLY 223 N 3.94 0.53 3.75 -0.13 0.00 -1.26 -5.02 105.19 107.00 3dxx n GLY 223 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3dxx n GLY 223 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dxx n HIS 224 N -2.78 2.54 0.29 1.61 -0.00 -0.58 -4.90 115.22 111.39 3dxx n HIS 224 Ca 0.00 0.44 0.17 0.00 -0.00 0.00 0.00 57.72 58.32 3dxx n HIS 224 Cb 0.03 -2.42 0.85 0.00 -0.00 0.00 0.00 29.99 28.46 3dxx n HIS 224 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 3dxx h ARG 225 N 1.94 0.00 -0.65 1.57 0.11 -1.95 -1.09 114.38 114.31 3dxx h ARG 225 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3dxx h ARG 225 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3dxx h ARG 225 CO 0.59 0.05 0.00 -0.11 0.10 0.00 0.00 179.97 180.61 3dxx n LEU 226 N -3.33 3.83 0.00 0.08 7.94 -1.26 -5.06 117.00 119.20 3dxx n LEU 226 Ca -0.01 -1.92 0.00 0.00 -1.11 0.00 0.00 56.01 52.96 3dxx n LEU 226 Cb 0.21 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.68 3dxx n LEU 226 CO 0.26 0.82 0.00 0.61 -1.11 0.00 0.00 177.39 177.97 3dxx n GLY 227 N 1.35 2.19 0.29 -3.96 0.00 -0.41 -4.78 105.19 99.86 3dxx n GLY 227 Ca 0.22 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.46 3dxx n GLY 227 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3dxx h HIS 228 N 0.00 0.00 0.00 1.61 3.86 -1.76 -3.38 115.15 115.48 3dxx h HIS 228 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dxx h HIS 228 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3dxx h HIS 228 CO 0.00 0.05 0.00 0.41 0.86 0.00 0.00 177.93 179.25 3dxx n GLY 229 N -1.03 1.25 3.06 2.45 0.00 -1.26 -0.70 105.19 108.95 3dxx n GLY 229 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 3dxx n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxx s VAL 230 N -2.97 1.03 -0.22 1.61 1.01 -1.26 -4.43 120.40 115.17 3dxx s VAL 230 Ca 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3dxx s VAL 230 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3dxx s VAL 230 CO 0.00 0.30 0.01 0.26 0.00 0.00 0.00 175.10 175.68 3dxx s TRP 231 N 0.04 3.04 -0.12 5.22 0.51 0.73 -4.97 118.94 123.39 3dxx s TRP 231 Ca -0.02 -0.51 -0.05 0.00 -2.12 0.00 0.00 56.10 53.40 3dxx s TRP 231 Cb -0.09 -2.13 -0.04 0.00 -0.81 0.00 0.00 33.47 30.41 3dxx s TRP 231 CO 0.01 -0.31 0.06 -0.51 -0.51 0.00 0.00 176.95 175.69 3dxx s ASP 232 N 1.22 5.73 -0.05 2.95 1.11 -1.26 -1.21 116.67 125.15 3dxx s ASP 232 Ca 0.03 0.24 0.03 0.00 0.18 0.00 0.00 52.55 53.04 3dxx s ASP 232 Cb -0.15 -1.80 0.01 0.00 1.07 0.00 0.00 42.92 42.05 3dxx s ASP 232 CO 0.01 0.34 -0.13 -0.76 1.18 0.00 0.00 175.17 175.82 3dxx s LEU 233 N -0.65 1.77 -0.06 1.23 1.02 -0.34 -1.38 118.68 120.27 3dxx s LEU 233 Ca 0.11 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 53.96 3dxx s LEU 233 Cb -0.12 -0.82 0.03 0.00 0.02 0.00 0.00 46.19 45.30 3dxx s LEU 233 CO 0.02 0.08 -0.00 -0.04 0.02 0.00 0.00 176.35 176.43 3dxx s MET 234 N 0.36 0.52 -0.06 1.70 -1.94 -1.26 -1.20 119.30 117.42 3dxx s MET 234 Ca -0.09 0.09 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 3dxx s MET 234 Cb -0.13 -0.81 0.00 0.00 2.01 0.00 0.00 34.83 35.91 3dxx s MET 234 CO 0.03 -0.23 -0.16 -0.06 -0.01 0.00 0.00 175.02 174.58 3dxx s PHE 235 N 1.62 1.72 0.09 -0.03 0.08 -0.69 -1.38 117.98 119.39 3dxx s PHE 235 Ca -0.01 -0.56 -0.18 0.00 0.12 0.00 0.00 56.93 56.30 3dxx s PHE 235 Cb -0.13 -1.18 -0.07 0.00 -0.57 0.00 0.00 43.02 41.07 3dxx s PHE 235 CO -0.03 -0.23 0.56 -2.00 -0.10 0.00 0.00 175.22 173.42 3dxx s GLU 236 N 0.26 4.13 -0.14 0.44 2.12 0.26 -1.02 118.70 124.75 3dxx s GLU 236 Ca -0.09 0.66 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 3dxx s GLU 236 Cb -0.13 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 3dxx s GLU 236 CO 0.03 0.60 1.23 0.50 -0.54 0.00 0.00 175.26 177.09 3dxx s ARG 237 N -1.32 4.27 0.36 4.30 3.52 0.22 -0.28 118.95 130.02 3dxx s ARG 237 Ca 0.31 1.65 0.08 0.00 -0.13 0.00 0.00 55.73 57.63 3dxx s ARG 237 Cb -0.18 -3.70 -0.07 0.00 -1.56 0.00 0.00 34.95 29.44 3dxx s ARG 237 CO 0.19 -0.62 -0.04 0.14 -0.81 0.00 0.00 175.30 174.15 3dxx s VAL 238 N 3.10 1.98 0.45 7.11 -7.23 0.73 -1.23 120.40 125.31 3dxx s VAL 238 Ca 0.54 -2.11 -0.25 0.00 -1.81 0.00 0.00 61.98 58.36 3dxx s VAL 238 Cb -0.22 -2.75 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 3dxx s VAL 238 CO 0.16 -0.13 1.33 -0.54 -0.31 0.00 0.00 175.10 175.61 3dxx s LYS 239 N -3.68 3.74 0.39 4.82 1.02 -1.26 -4.47 119.74 120.29 3dxx s LYS 239 Ca 0.33 2.19 -0.27 0.00 0.02 0.00 0.00 55.97 58.24 3dxx s LYS 239 Cb 0.06 -2.61 -0.11 0.00 -0.52 0.00 0.00 37.83 34.65 3dxx s LYS 239 CO 0.16 -0.69 1.33 1.28 -0.92 0.00 0.00 175.35 176.51 3dxx n LEU 240 N -0.21 4.13 -0.08 3.17 4.77 -1.26 -4.57 117.00 122.94 3dxx n LEU 240 Ca 0.06 1.16 -0.11 0.00 -0.03 0.00 0.00 56.01 57.09 3dxx n LEU 240 Cb 0.44 -1.53 -0.05 0.00 -2.33 0.00 0.00 43.42 39.95 3dxx n LEU 240 CO 0.55 -0.39 -0.47 -0.62 -1.33 0.00 0.00 177.39 175.13 3dxx n GLU 241 N 0.25 0.50 0.00 3.23 1.02 -1.26 -5.00 120.64 119.38 3dxx n GLU 241 Ca 0.05 0.51 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 3dxx n GLU 241 Cb 0.39 -1.68 0.34 0.00 -0.02 0.00 0.00 31.44 30.46 3dxx n GLU 241 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92