#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dko n GLY 30 N 0.00 -1.96 3.68 0.46 0.00 -1.26 -4.96 105.19 101.16 2dko n GLY 30 Ca 0.00 -1.63 -0.45 0.00 0.00 0.00 0.00 46.02 43.95 2dko n GLY 30 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dko n ILE 31 N -4.11 0.52 -4.24 -0.61 2.08 -1.26 -5.00 119.36 106.74 2dko n ILE 31 Ca 0.15 -0.13 -0.34 0.00 0.56 0.00 0.00 62.75 62.99 2dko n ILE 31 Cb 0.55 -1.61 -0.14 0.00 -0.75 0.00 0.00 39.64 37.69 2dko n ILE 31 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2dko s SER 32 N 0.63 4.19 -0.02 4.38 0.15 -1.26 -5.05 113.70 116.71 2dko s SER 32 Ca 0.72 -0.36 0.21 0.00 0.70 0.00 0.00 55.95 57.22 2dko s SER 32 Cb -0.63 -1.69 -0.30 0.00 -1.71 0.00 0.00 66.02 61.69 2dko s SER 32 CO 0.43 0.06 0.55 0.18 1.20 0.00 0.00 173.24 175.67 2dko n LEU 33 N 4.26 0.21 -4.29 3.45 4.77 -1.26 -5.02 117.00 119.12 2dko n LEU 33 Ca -0.18 -0.11 -0.35 0.00 -0.03 0.00 0.00 56.01 55.34 2dko n LEU 33 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2dko n LEU 33 CO 0.30 0.05 -0.22 0.47 -1.33 0.00 0.00 177.39 176.66 2dko n ASP 34 N -2.07 -1.26 -0.08 -1.43 10.43 -1.26 -4.86 116.55 116.02 2dko n ASP 34 Ca -0.02 -1.14 0.12 0.00 2.57 0.00 0.00 54.79 56.31 2dko n ASP 34 Cb 0.50 -2.21 0.15 0.00 1.84 0.00 0.00 41.12 41.40 2dko n ASP 34 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2dko n ASN 35 N -2.73 0.85 -4.13 -2.24 3.02 -1.26 -4.91 115.26 103.86 2dko n ASN 35 Ca -0.09 -0.66 -0.20 0.00 -0.03 0.00 0.00 54.58 53.60 2dko n ASN 35 Cb 0.57 0.45 -0.14 0.00 -0.61 0.00 0.00 39.78 40.05 2dko n ASN 35 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2dko s SER 36 N -2.87 1.63 0.46 6.41 1.04 -1.26 -5.12 113.70 113.98 2dko s SER 36 Ca 0.13 -0.40 -0.25 0.00 0.48 0.00 0.00 55.95 55.92 2dko s SER 36 Cb 0.17 -0.12 -0.08 0.00 0.10 0.00 0.00 66.02 66.09 2dko s SER 36 CO 0.70 0.07 1.41 -0.31 0.98 0.00 0.00 173.24 176.10 2dko s TYR 37 N -0.70 2.45 -0.19 5.02 1.51 -1.26 -4.92 117.35 119.26 2dko s TYR 37 Ca 0.03 1.28 -0.29 0.00 -1.01 0.00 0.00 57.07 57.08 2dko s TYR 37 Cb -0.07 -3.89 -0.03 0.00 -0.11 0.00 0.00 41.96 37.85 2dko s TYR 37 CO 0.01 -2.89 1.67 0.21 -1.11 0.00 0.00 175.55 173.44 2dko s LYS 38 N -2.51 3.81 -0.10 -0.62 2.20 -1.26 -4.86 119.74 116.41 2dko s LYS 38 Ca 0.62 1.78 0.15 0.00 -0.36 0.00 0.00 55.97 58.15 2dko s LYS 38 Cb -0.43 -4.06 0.22 0.00 -1.51 0.00 0.00 37.83 32.06 2dko s LYS 38 CO 0.55 -1.28 1.11 -1.33 -0.36 0.00 0.00 175.35 174.03 2dko n MET 39 N 7.67 1.53 -0.61 4.03 2.81 -1.26 -4.61 117.12 126.68 2dko n MET 39 Ca 0.19 -2.30 0.02 0.00 -1.81 0.00 0.00 57.70 53.80 2dko n MET 39 Cb 0.45 -1.36 0.21 0.00 -0.71 0.00 0.00 33.22 31.81 2dko n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2dko n ASP 40 N -1.19 2.84 -4.56 7.83 5.75 -1.26 -4.89 116.55 121.06 2dko n ASP 40 Ca 0.12 -3.48 -0.30 0.00 -0.01 0.00 0.00 54.79 51.13 2dko n ASP 40 Cb 0.57 -0.58 0.22 0.00 -1.03 0.00 0.00 41.12 40.30 2dko n ASP 40 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2dko n TYR 41 N -0.97 -0.31 -0.06 2.11 4.02 -1.26 -4.89 117.16 115.80 2dko n TYR 41 Ca 0.27 0.09 0.20 0.00 -0.01 0.00 0.00 57.90 58.45 2dko n TYR 41 Cb 0.93 -1.84 0.65 0.00 -0.02 0.00 0.00 39.34 39.06 2dko n TYR 41 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2dko h PRO 42 N -2.35 0.10 -5.30 -0.72 0.11 -1.93 -3.41 132.00 118.51 2dko h PRO 42 Ca -0.53 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.09 2dko h PRO 42 Cb 1.30 -0.02 -0.29 0.00 0.11 0.00 0.00 31.00 32.11 2dko h PRO 42 CO 0.45 0.07 -0.81 -1.21 -0.21 0.00 0.00 178.00 176.29 2dko s GLU 43 N -5.11 1.13 0.21 1.05 2.02 -0.74 -5.03 118.70 112.22 2dko s GLU 43 Ca -0.06 -0.53 -0.08 0.00 0.02 0.00 0.00 54.97 54.33 2dko s GLU 43 Cb 0.20 -1.10 0.15 0.00 0.10 0.00 0.00 34.13 33.48 2dko s GLU 43 CO 0.74 0.30 1.74 0.52 0.02 0.00 0.00 175.26 178.58 2dko h MET 44 N 5.72 1.14 0.00 1.61 2.86 -1.79 0.24 114.93 124.70 2dko h MET 44 Ca -0.35 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 2dko h MET 44 Cb 1.16 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2dko h MET 44 CO 0.48 0.98 0.00 0.41 1.06 0.00 0.00 176.91 179.85 2dko n GLY 45 N -0.72 0.85 3.82 8.32 0.00 -1.26 -1.52 105.19 114.67 2dko n GLY 45 Ca 0.06 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 2dko n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dko s LEU 46 N 0.00 4.12 -0.30 0.99 1.43 -1.26 -0.99 118.68 122.66 2dko s LEU 46 Ca 0.00 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 2dko s LEU 46 Cb 0.00 -4.19 0.09 0.00 0.03 0.00 0.00 46.19 42.12 2dko s LEU 46 CO 0.00 -0.20 0.05 0.00 0.23 0.00 0.00 176.35 176.42 2dko s ILE 48 N 1.30 5.20 -0.22 0.00 -1.09 0.02 -1.03 121.20 125.39 2dko s ILE 48 Ca 0.07 0.63 -0.03 0.00 -2.23 0.00 0.00 60.65 59.08 2dko s ILE 48 Cb -0.18 -3.70 -0.00 0.00 -1.58 0.00 0.00 42.46 36.99 2dko s ILE 48 CO -0.15 0.22 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.10 2dko s ILE 49 N 1.56 3.22 -0.38 2.92 1.01 -0.03 -0.19 121.20 129.31 2dko s ILE 49 Ca 0.17 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 2dko s ILE 49 Cb -0.15 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.89 2dko s ILE 49 CO 0.08 0.42 0.21 -0.63 0.00 0.00 0.00 174.94 175.02 2dko s ILE 50 N 1.45 4.45 -0.51 2.92 1.01 0.09 -0.66 121.20 129.96 2dko s ILE 50 Ca 0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 2dko s ILE 50 Cb -0.14 -3.54 0.13 0.00 0.01 0.00 0.00 42.46 38.92 2dko s ILE 50 CO -0.04 -0.29 0.33 0.21 0.00 0.00 0.00 174.94 175.15 2dko s ASN 51 N 1.65 5.37 -0.41 3.58 3.04 0.37 -0.96 114.94 127.58 2dko s ASN 51 Ca 0.02 -2.31 -0.15 0.00 0.04 0.00 0.00 52.86 50.45 2dko s ASN 51 Cb -0.20 -1.88 0.02 0.00 -1.54 0.00 0.00 41.25 37.65 2dko s ASN 51 CO 0.06 -0.51 0.30 0.20 -3.04 0.00 0.00 177.10 174.11 2dko s ASN 52 N 1.59 6.11 -0.21 -4.21 0.01 -0.32 -1.37 114.94 116.54 2dko s ASN 52 Ca 0.11 -0.92 -0.06 0.00 -0.71 0.00 0.00 52.86 51.28 2dko s ASN 52 Cb -0.22 -2.16 -0.11 0.00 0.41 0.00 0.00 41.25 39.17 2dko s ASN 52 CO -0.03 -0.46 -0.24 1.17 -1.51 0.00 0.00 177.10 176.02 2dko n LYS 53 N 5.16 0.48 -4.36 -0.60 4.81 -1.26 -4.52 118.16 117.87 2dko n LYS 53 Ca -0.11 0.17 -0.34 0.00 -0.87 0.00 0.00 58.31 57.16 2dko n LYS 53 Cb 0.47 -1.32 -0.14 0.00 0.02 0.00 0.00 35.03 34.06 2dko n LYS 53 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2dko s ASN 54 N -6.60 4.15 0.06 3.14 0.01 -1.26 -0.99 114.94 113.45 2dko s ASN 54 Ca -0.29 -0.35 0.04 0.00 -0.71 0.00 0.00 52.86 51.55 2dko s ASN 54 Cb 0.10 -1.67 -0.04 0.00 0.41 0.00 0.00 41.25 40.05 2dko s ASN 54 CO 0.41 0.08 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.69 2dko s PHE 55 N 0.84 2.94 0.39 2.20 0.40 -1.26 -4.81 117.98 118.68 2dko s PHE 55 Ca -0.03 -0.04 -0.27 0.00 -0.60 0.00 0.00 56.93 56.00 2dko s PHE 55 Cb -0.15 -1.55 -0.11 0.00 0.51 0.00 0.00 43.02 41.72 2dko s PHE 55 CO 0.01 0.44 1.34 0.72 0.70 0.00 0.00 175.22 178.43 2dko n HIS 56 N 0.93 2.42 -0.13 0.36 8.25 0.06 -4.86 115.22 122.25 2dko n HIS 56 Ca -0.13 0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 2dko n HIS 56 Cb 0.52 -2.43 0.26 0.00 1.12 0.00 0.00 29.99 29.47 2dko n HIS 56 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2dko h LYS 57 N 2.45 0.82 -0.16 -0.41 1.63 -1.92 -1.19 116.57 117.78 2dko h LYS 57 Ca -0.48 -0.09 0.05 0.00 -0.85 0.00 0.00 60.65 59.27 2dko h LYS 57 Cb 1.28 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 2dko h LYS 57 CO 0.62 0.62 0.24 0.77 -3.45 0.00 0.00 179.45 178.25 2dko h SER 58 N 0.83 0.00 1.59 4.20 0.02 -1.95 -2.10 113.55 116.14 2dko h SER 58 Ca 0.21 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2dko h SER 58 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2dko h SER 58 CO -0.03 0.00 -0.42 0.71 -1.14 0.00 0.00 176.83 175.95 2dko h THR 59 N 0.00 0.26 0.00 -2.27 1.35 -1.54 -3.47 112.91 107.24 2dko h THR 59 Ca 0.08 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2dko h THR 59 Cb 0.56 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2dko h THR 59 CO -0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 2dko n GLY 60 N 1.17 0.82 3.84 5.82 0.00 -0.79 -5.01 105.19 111.03 2dko n GLY 60 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2dko n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dko s MET 61 N -0.14 4.00 0.55 1.61 -1.94 -1.26 -5.04 119.30 117.08 2dko s MET 61 Ca 0.00 0.51 -0.17 0.00 -1.71 0.00 0.00 55.69 54.32 2dko s MET 61 Cb 0.00 -3.05 -0.06 0.00 2.01 0.00 0.00 34.83 33.73 2dko s MET 61 CO 0.00 0.56 1.04 0.95 -0.01 0.00 0.00 175.02 177.56 2dko s THR 62 N -1.32 3.92 0.44 2.05 -4.23 -1.26 -4.58 115.64 110.67 2dko s THR 62 Ca 0.33 0.99 -0.25 0.00 -1.18 0.00 0.00 61.69 61.59 2dko s THR 62 Cb -0.16 -3.46 -0.08 0.00 1.34 0.00 0.00 72.50 70.14 2dko s THR 62 CO 0.18 -0.46 1.27 -0.94 -0.54 0.00 0.00 174.62 174.13 2dko s SER 63 N -2.60 6.13 -1.06 3.99 1.04 -1.26 -4.74 113.70 115.20 2dko s SER 63 Ca 0.64 2.57 -0.03 0.00 0.48 0.00 0.00 55.95 59.60 2dko s SER 63 Cb -0.15 -2.63 0.31 0.00 0.10 0.00 0.00 66.02 63.65 2dko s SER 63 CO 0.31 -0.96 1.50 0.54 0.98 0.00 0.00 173.24 175.61 2dko n ARG 64 N -0.20 4.54 -1.67 4.02 1.74 -0.16 -5.02 116.66 119.91 2dko n ARG 64 Ca 0.06 -4.58 -0.45 0.00 -0.77 0.00 0.00 57.85 52.11 2dko n ARG 64 Cb 0.45 -2.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.36 2dko n ARG 64 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2dko n SER 65 N 1.12 2.76 0.00 0.55 3.41 -1.26 -1.51 113.62 118.69 2dko n SER 65 Ca 0.29 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 60.03 2dko n SER 65 Cb 0.32 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 2dko n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dko n GLY 66 N 2.39 2.07 0.20 5.00 0.00 -1.26 -4.95 105.19 108.64 2dko n GLY 66 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 2dko n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dko h THR 67 N 0.00 1.23 -0.14 2.61 1.03 -1.68 -2.27 112.91 113.70 2dko h THR 67 Ca 0.00 -1.10 -0.06 0.00 -0.01 0.00 0.00 66.41 65.23 2dko h THR 67 Cb 0.00 1.57 -0.01 0.00 -1.07 0.00 0.00 68.15 68.64 2dko h THR 67 CO 0.00 0.32 -0.20 0.44 -0.01 0.00 0.00 175.52 176.07 2dko h ASP 68 N 0.03 0.24 -0.19 0.00 3.32 -1.93 -0.06 116.42 117.83 2dko h ASP 68 Ca 0.00 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.00 2dko h ASP 68 Cb 0.57 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2dko h ASP 68 CO 0.04 0.45 0.09 0.58 -1.72 0.00 0.00 179.24 178.68 2dko h VAL 69 N 0.23 0.99 -0.04 -1.35 2.07 -1.83 -0.70 116.25 115.63 2dko h VAL 69 Ca 0.04 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2dko h VAL 69 Cb 0.48 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2dko h VAL 69 CO 0.03 0.04 -0.08 0.44 0.02 0.00 0.00 177.57 178.02 2dko h ASP 70 N 0.19 -0.24 -0.74 0.57 3.32 -1.24 -0.91 116.42 117.37 2dko h ASP 70 Ca 0.08 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2dko h ASP 70 Cb 0.02 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2dko h ASP 70 CO -0.06 -0.12 0.30 0.00 -1.72 0.00 0.00 179.24 177.64 2dko h ALA 71 N 0.89 1.10 -0.52 3.45 0.00 -0.80 -0.07 119.26 123.32 2dko h ALA 71 Ca 0.04 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2dko h ALA 71 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2dko h ALA 71 CO -0.11 0.64 -0.09 0.00 0.00 0.00 0.00 179.25 179.69 2dko h ALA 72 N 1.22 0.71 -0.55 0.00 0.00 -1.03 -1.55 119.26 118.08 2dko h ALA 72 Ca 0.25 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2dko h ALA 72 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2dko h ALA 72 CO -0.02 0.61 0.20 -0.97 0.00 0.00 0.00 179.25 179.07 2dko h ASN 73 N 0.85 0.77 -0.58 0.00 -0.73 -0.71 -2.04 115.58 113.14 2dko h ASN 73 Ca 0.14 -0.19 -0.02 0.00 1.87 0.00 0.00 56.30 58.10 2dko h ASN 73 Cb 0.65 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 39.01 2dko h ASN 73 CO 0.04 0.75 0.28 -0.07 -0.37 0.00 0.00 177.43 178.07 2dko h LEU 74 N 0.75 0.76 -0.56 0.34 3.38 -0.93 -0.53 115.31 118.52 2dko h LEU 74 Ca 0.18 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2dko h LEU 74 Cb 0.24 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2dko h LEU 74 CO -0.01 0.67 0.35 -0.09 0.09 0.00 0.00 178.44 179.45 2dko h ARG 75 N 0.79 0.67 -0.46 1.13 2.43 -1.02 -0.10 114.38 117.83 2dko h ARG 75 Ca 0.20 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2dko h ARG 75 Cb 0.11 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2dko h ARG 75 CO -0.03 0.45 0.20 1.49 -1.51 0.00 0.00 179.97 180.57 2dko h GLU 76 N 0.69 0.67 -0.16 0.20 4.57 -1.15 -0.37 114.58 119.04 2dko h GLU 76 Ca 0.22 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2dko h GLU 76 Cb -0.01 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 2dko h GLU 76 CO -0.08 0.59 0.04 1.15 -1.18 0.00 0.00 179.01 179.54 2dko h THR 77 N 0.60 1.19 0.00 0.32 2.02 -0.76 -1.92 112.91 114.36 2dko h THR 77 Ca 0.16 -0.61 -0.14 0.00 0.77 0.00 0.00 66.41 66.59 2dko h THR 77 Cb 0.16 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2dko h THR 77 CO -0.02 0.19 -0.67 -0.26 0.37 0.00 0.00 175.52 175.13 2dko h PHE 78 N 0.08 0.00 -0.72 3.16 0.04 -1.03 -2.75 116.94 115.72 2dko h PHE 78 Ca 0.05 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.88 2dko h PHE 78 Cb 0.25 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 2dko h PHE 78 CO 0.00 0.67 0.42 -0.09 -0.60 0.00 0.00 178.31 178.72 2dko h ARG 79 N 0.00 0.76 0.00 1.51 2.43 -0.87 -1.53 114.38 116.68 2dko h ARG 79 Ca -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2dko h ARG 79 Cb 1.18 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2dko h ARG 79 CO 0.09 0.50 0.00 -0.91 -1.51 0.00 0.00 179.97 178.14 2dko h ASN 80 N 0.78 0.00 -0.13 -3.80 2.35 -1.07 -1.13 115.58 112.58 2dko h ASN 80 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2dko h ASN 80 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2dko h ASN 80 CO -0.17 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.79 2dko n LEU 81 N -2.93 1.98 -0.24 1.61 4.77 -0.75 -4.94 117.00 116.50 2dko n LEU 81 Ca 0.01 -0.77 -0.02 0.00 -0.03 0.00 0.00 56.01 55.20 2dko n LEU 81 Cb 0.29 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2dko n LEU 81 CO 0.26 0.38 -0.03 0.29 -1.33 0.00 0.00 177.39 176.96 2dko n LYS 82 N 0.53 -0.18 -2.90 3.23 4.76 -0.43 -4.94 118.16 118.25 2dko n LYS 82 Ca 0.17 0.21 -0.32 0.00 -2.87 0.00 0.00 58.31 55.50 2dko n LYS 82 Cb 0.40 -3.83 -0.06 0.00 -1.84 0.00 0.00 35.03 29.70 2dko n LYS 82 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2dko s TYR 83 N -2.11 3.37 -0.70 2.13 1.51 -0.65 -4.16 117.35 116.74 2dko s TYR 83 Ca 0.00 1.39 -0.25 0.00 -1.01 0.00 0.00 57.07 57.19 2dko s TYR 83 Cb 0.00 -2.68 0.05 0.00 -0.11 0.00 0.00 41.96 39.21 2dko s TYR 83 CO 0.00 -0.06 1.15 -2.00 -1.11 0.00 0.00 175.55 173.53 2dko s GLU 84 N -3.28 3.17 -0.09 -0.62 2.12 -0.17 -4.43 118.70 115.41 2dko s GLU 84 Ca 0.58 -0.45 -0.20 0.00 0.36 0.00 0.00 54.97 55.25 2dko s GLU 84 Cb -0.10 -4.19 -0.04 0.00 0.26 0.00 0.00 34.13 30.06 2dko s GLU 84 CO 0.19 -1.99 0.56 0.08 -0.54 0.00 0.00 175.26 173.56 2dko s VAL 85 N 5.03 5.11 -0.13 3.70 1.01 -1.26 -0.95 120.40 132.90 2dko s VAL 85 Ca 0.30 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.45 2dko s VAL 85 Cb -0.11 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2dko s VAL 85 CO 0.14 0.31 -0.17 -0.13 0.00 0.00 0.00 175.10 175.25 2dko s ARG 86 N 0.57 2.48 -0.07 2.72 0.52 -0.20 -4.96 118.95 120.01 2dko s ARG 86 Ca 0.30 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.84 2dko s ARG 86 Cb -0.16 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 2dko s ARG 86 CO 0.14 -0.12 0.07 1.21 0.02 0.00 0.00 175.30 176.62 2dko s ASN 87 N 1.12 5.71 -0.03 0.23 2.47 -1.26 -0.85 114.94 122.32 2dko s ASN 87 Ca -0.02 0.24 0.02 0.00 0.42 0.00 0.00 52.86 53.51 2dko s ASN 87 Cb -0.14 -1.69 0.01 0.00 -1.45 0.00 0.00 41.25 37.97 2dko s ASN 87 CO -0.05 0.35 -0.07 -0.54 -3.72 0.00 0.00 177.10 173.07 2dko s LYS 88 N -1.22 0.92 -0.05 0.43 -0.14 0.17 -4.95 119.74 114.90 2dko s LYS 88 Ca 0.17 -0.23 0.01 0.00 -1.36 0.00 0.00 55.97 54.56 2dko s LYS 88 Cb -0.12 -0.87 -0.03 0.00 -1.68 0.00 0.00 37.83 35.13 2dko s LYS 88 CO 0.07 0.04 -0.03 -0.80 -0.76 0.00 0.00 175.35 173.86 2dko s ASN 89 N 0.46 4.93 -1.12 2.83 0.01 -1.26 -0.48 114.94 120.31 2dko s ASN 89 Ca -0.07 0.01 -0.15 0.00 -0.71 0.00 0.00 52.86 51.94 2dko s ASN 89 Cb -0.11 -1.28 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 2dko s ASN 89 CO 0.01 0.34 0.83 0.47 -1.51 0.00 0.00 177.10 177.23 2dko n ASP 90 N 1.90 -5.58 -4.81 -1.22 10.43 -0.47 -4.95 116.55 111.85 2dko n ASP 90 Ca -0.17 -0.91 -0.38 0.00 2.57 0.00 0.00 54.79 55.91 2dko n ASP 90 Cb 0.53 -4.02 -0.06 0.00 1.84 0.00 0.00 41.12 39.41 2dko n ASP 90 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2dko s LEU 91 N -6.12 4.41 0.98 0.64 1.43 -1.26 -4.87 118.68 113.88 2dko s LEU 91 Ca 0.45 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 2dko s LEU 91 Cb -0.13 -2.54 0.18 0.00 0.03 0.00 0.00 46.19 43.73 2dko s LEU 91 CO 0.82 0.25 1.08 0.42 0.23 0.00 0.00 176.35 179.15 2dko s THR 92 N -0.60 2.36 0.30 5.49 -4.23 -1.26 -0.90 115.64 116.80 2dko s THR 92 Ca 0.23 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2dko s THR 92 Cb -0.16 -2.42 0.28 0.00 1.34 0.00 0.00 72.50 71.54 2dko s THR 92 CO 0.11 -0.15 1.92 0.08 -0.54 0.00 0.00 174.62 176.04 2dko h ARG 93 N -1.90 1.00 -0.47 3.99 0.11 -1.86 -0.18 114.38 115.07 2dko h ARG 93 Ca -0.52 -0.06 -0.12 0.00 0.10 0.00 0.00 59.98 59.38 2dko h ARG 93 Cb 1.30 -0.23 -0.02 0.00 1.11 0.00 0.00 29.97 32.14 2dko h ARG 93 CO 0.52 0.66 -0.17 0.93 0.10 0.00 0.00 179.97 182.01 2dko h GLU 94 N 1.03 0.91 -0.53 0.08 3.07 -1.95 -2.33 114.58 114.87 2dko h GLU 94 Ca 0.37 -0.35 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 2dko h GLU 94 Cb 0.14 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2dko h GLU 94 CO -0.13 1.01 -0.02 0.93 -1.40 0.00 0.00 179.01 179.39 2dko h GLU 95 N 0.80 0.92 0.00 2.33 5.08 -1.76 -0.75 114.58 121.21 2dko h GLU 95 Ca 0.12 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2dko h GLU 95 Cb 0.71 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2dko h GLU 95 CO 0.05 0.93 -0.05 0.82 -1.00 0.00 0.00 179.01 179.76 2dko h ILE 96 N 0.85 0.86 -0.57 3.13 2.04 -0.88 -0.08 117.51 122.86 2dko h ILE 96 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 2dko h ILE 96 Cb 0.53 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2dko h ILE 96 CO 0.03 0.00 0.24 -0.37 0.00 0.00 0.00 178.15 178.05 2dko h VAL 97 N -0.10 1.22 -0.61 1.67 -1.51 -1.27 -1.14 116.25 114.50 2dko h VAL 97 Ca 0.02 -0.68 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 2dko h VAL 97 Cb 0.12 0.60 -0.03 0.00 -2.13 0.00 0.00 31.29 29.85 2dko h VAL 97 CO -0.05 0.26 0.32 -0.08 -1.23 0.00 0.00 177.57 176.79 2dko h GLU 98 N 0.78 0.87 -0.14 5.19 4.81 -1.05 0.11 114.58 125.15 2dko h GLU 98 Ca 0.19 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2dko h GLU 98 Cb 0.18 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2dko h GLU 98 CO -0.02 0.68 0.09 1.25 -0.73 0.00 0.00 179.01 180.28 2dko h LEU 99 N 0.84 0.17 -0.71 1.64 5.85 -0.76 -0.25 115.31 122.08 2dko h LEU 99 Ca 0.21 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 2dko h LEU 99 Cb 0.08 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2dko h LEU 99 CO -0.03 0.14 -0.24 0.24 -0.34 0.00 0.00 178.44 178.20 2dko h MET 100 N 0.18 0.73 -0.07 1.25 2.86 -0.98 0.99 114.93 119.89 2dko h MET 100 Ca 0.05 -0.30 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2dko h MET 100 Cb -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2dko h MET 100 CO -0.01 0.90 -0.03 -0.09 1.06 0.00 0.00 176.91 178.74 2dko h ARG 101 N 0.63 -0.02 -0.47 1.72 2.43 -0.80 -0.76 114.38 117.11 2dko h ARG 101 Ca 0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2dko h ARG 101 Cb 0.74 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2dko h ARG 101 CO 0.06 -0.02 0.29 -0.44 -1.51 0.00 0.00 179.97 178.35 2dko h ASP 102 N -0.02 0.57 -0.79 -3.80 3.45 -0.74 -1.87 116.42 113.21 2dko h ASP 102 Ca 0.04 -0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 2dko h ASP 102 Cb 0.08 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 38.67 2dko h ASP 102 CO -0.08 0.45 0.37 0.58 -1.57 0.00 0.00 179.24 178.98 2dko h VAL 103 N 0.63 1.25 0.00 -1.35 2.07 -0.71 -1.67 116.25 116.47 2dko h VAL 103 Ca 0.17 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2dko h VAL 103 Cb -0.02 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2dko h VAL 103 CO -0.03 0.31 -0.03 0.77 0.02 0.00 0.00 177.57 178.61 2dko h SER 104 N 1.13 0.00 0.21 0.57 4.64 -0.53 -2.24 113.55 117.33 2dko h SER 104 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2dko h SER 104 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2dko h SER 104 CO -0.03 0.03 -0.31 0.29 -0.87 0.00 0.00 176.83 175.93 2dko n LYS 105 N -3.16 0.83 -1.05 4.77 5.02 -0.66 -4.77 118.16 119.14 2dko n LYS 105 Ca -0.01 -0.53 -0.31 0.00 -2.02 0.00 0.00 58.31 55.45 2dko n LYS 105 Cb 0.25 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 33.89 2dko n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dko s GLU 106 N -2.53 1.74 -0.59 1.97 2.02 -0.84 -4.97 118.70 115.48 2dko s GLU 106 Ca 0.22 1.38 -0.26 0.00 0.02 0.00 0.00 54.97 56.33 2dko s GLU 106 Cb 0.19 -1.82 0.04 0.00 0.10 0.00 0.00 34.13 32.63 2dko s GLU 106 CO 0.54 -2.06 1.08 0.34 0.02 0.00 0.00 175.26 175.18 2dko s ASP 107 N -2.97 6.35 -0.08 -0.19 -1.08 -1.26 -4.89 116.67 112.55 2dko s ASP 107 Ca 0.65 -0.24 0.15 0.00 -0.52 0.00 0.00 52.55 52.58 2dko s ASP 107 Cb -0.20 -2.49 0.56 0.00 -1.46 0.00 0.00 42.92 39.32 2dko s ASP 107 CO 0.56 -1.42 1.44 1.41 0.52 0.00 0.00 175.17 177.67 2dko n HIS 108 N 8.09 1.13 -0.13 -5.34 8.25 -1.26 -4.63 115.22 121.33 2dko n HIS 108 Ca 0.04 -0.46 0.10 0.00 -0.26 0.00 0.00 57.72 57.15 2dko n HIS 108 Cb 0.48 -0.18 0.44 0.00 1.12 0.00 0.00 29.99 31.85 2dko n HIS 108 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2dko h SER 109 N 3.21 0.49 -0.51 0.41 4.64 -1.91 -1.09 113.55 118.79 2dko h SER 109 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2dko h SER 109 Cb 1.15 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2dko h SER 109 CO 0.17 0.30 0.00 0.29 -0.87 0.00 0.00 176.83 176.71 2dko n LYS 110 N -4.48 2.43 -4.51 4.77 5.02 -1.26 -4.90 118.16 115.24 2dko n LYS 110 Ca 0.11 -1.95 -0.34 0.00 -2.02 0.00 0.00 58.31 54.11 2dko n LYS 110 Cb 0.34 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 2dko n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2dko s ARG 111 N -1.42 2.91 0.22 1.97 0.52 -0.41 -1.79 118.95 120.93 2dko s ARG 111 Ca 0.36 -0.49 0.12 0.00 -0.52 0.00 0.00 55.73 55.20 2dko s ARG 111 Cb 0.20 -2.70 0.04 0.00 0.52 0.00 0.00 34.95 33.01 2dko s ARG 111 CO 0.22 0.65 1.42 0.77 0.02 0.00 0.00 175.30 178.39 2dko h SER 112 N 5.30 0.00 -5.21 0.23 0.02 -0.70 -3.47 113.55 109.72 2dko h SER 112 Ca -0.48 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.56 2dko h SER 112 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2dko h SER 112 CO 0.54 0.71 0.42 -0.94 -1.14 0.00 0.00 176.83 176.42 2dko s SER 113 N -6.60 -0.05 -0.03 3.07 1.04 -0.57 -4.26 113.70 106.30 2dko s SER 113 Ca 0.02 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 2dko s SER 113 Cb 0.09 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.88 2dko s SER 113 CO 0.77 -1.26 0.08 0.12 0.98 0.00 0.00 173.24 173.92 2dko s PHE 114 N -2.60 -0.07 -0.05 5.02 5.36 -0.69 -4.02 117.98 120.93 2dko s PHE 114 Ca 0.17 0.24 0.04 0.00 -0.96 0.00 0.00 56.93 56.41 2dko s PHE 114 Cb -0.04 -0.07 -0.00 0.00 -0.34 0.00 0.00 43.02 42.58 2dko s PHE 114 CO 0.07 -0.08 -0.17 0.08 -1.46 0.00 0.00 175.22 173.66 2dko s VAL 115 N 0.56 1.45 -0.06 3.12 1.01 -0.18 -0.56 120.40 125.74 2dko s VAL 115 Ca -0.04 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2dko s VAL 115 Cb -0.06 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2dko s VAL 115 CO -0.02 0.42 -0.12 0.00 0.00 0.00 0.00 175.10 175.38 2dko s VAL 117 N 0.60 2.82 -0.20 0.00 1.01 0.74 -0.72 120.40 124.64 2dko s VAL 117 Ca -0.13 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 2dko s VAL 117 Cb -0.15 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2dko s VAL 117 CO 0.03 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 174.78 2dko s LEU 118 N 0.55 2.58 -0.30 3.92 1.43 0.13 -0.73 118.68 126.26 2dko s LEU 118 Ca -0.09 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2dko s LEU 118 Cb -0.16 -1.63 0.07 0.00 0.03 0.00 0.00 46.19 44.51 2dko s LEU 118 CO 0.04 -0.01 -0.03 -0.76 0.23 0.00 0.00 176.35 175.81 2dko s LEU 119 N 1.40 4.00 0.24 1.79 1.43 -0.13 -1.08 118.68 126.32 2dko s LEU 119 Ca 0.05 -1.64 -0.20 0.00 -1.03 0.00 0.00 54.13 51.31 2dko s LEU 119 Cb -0.14 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.54 2dko s LEU 119 CO -0.07 -0.27 0.98 -0.55 0.23 0.00 0.00 176.35 176.66 2dko s SER 120 N 1.10 0.02 0.79 2.29 0.15 -0.86 -1.18 113.70 116.00 2dko s SER 120 Ca -0.02 -0.82 -0.11 0.00 0.70 0.00 0.00 55.95 55.70 2dko s SER 120 Cb -0.20 0.60 0.07 0.00 -1.71 0.00 0.00 66.02 64.77 2dko s SER 120 CO -0.05 -1.19 1.11 -1.00 1.20 0.00 0.00 173.24 173.31 2dko s HIS 121 N -2.13 2.39 0.26 3.44 3.76 -1.26 -4.06 115.29 117.69 2dko s HIS 121 Ca 0.21 1.60 -0.21 0.00 -0.15 0.00 0.00 55.06 56.51 2dko s HIS 121 Cb -0.03 -3.13 0.04 0.00 1.11 0.00 0.00 32.58 30.57 2dko s HIS 121 CO 0.07 -2.00 0.82 0.20 -0.85 0.00 0.00 174.74 172.98 2dko s GLY 122 N -3.14 -0.03 0.30 -2.22 0.00 -1.26 -0.93 107.32 100.03 2dko s GLY 122 Ca 0.63 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 45.13 2dko s GLY 122 CO 0.55 0.07 0.25 -0.54 0.00 0.00 0.00 173.10 173.43 2dko s GLU 123 N -3.35 1.63 -0.00 2.90 2.02 -0.89 -4.19 118.70 116.83 2dko s GLU 123 Ca 0.13 -1.92 -0.33 0.00 0.02 0.00 0.00 54.97 52.87 2dko s GLU 123 Cb -0.04 0.32 -0.11 0.00 0.10 0.00 0.00 34.13 34.39 2dko s GLU 123 CO 0.06 -0.60 1.85 -1.91 0.02 0.00 0.00 175.26 174.69 2dko n GLU 124 N -0.54 2.40 -0.99 1.61 4.07 -1.19 -1.14 120.64 124.86 2dko n GLU 124 Ca 0.06 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 2dko n GLU 124 Cb 0.63 -2.74 0.00 0.00 -0.06 0.00 0.00 31.44 29.27 2dko n GLU 124 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dko n GLY 125 N 4.28 0.80 2.99 8.31 0.00 -1.26 -5.01 105.19 115.30 2dko n GLY 125 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 2dko n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dko s ILE 126 N -3.24 0.44 0.06 -0.61 1.01 -0.29 -0.97 121.20 117.59 2dko s ILE 126 Ca 0.00 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.28 2dko s ILE 126 Cb 0.00 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 2dko s ILE 126 CO 0.00 -0.03 -0.24 -0.51 0.00 0.00 0.00 174.94 174.16 2dko s ILE 127 N -0.47 1.96 -0.16 2.92 1.10 -0.26 -2.08 121.20 124.20 2dko s ILE 127 Ca -0.01 -1.38 -0.14 0.00 -0.51 0.00 0.00 60.65 58.60 2dko s ILE 127 Cb -0.04 -1.70 -0.05 0.00 0.15 0.00 0.00 42.46 40.82 2dko s ILE 127 CO -0.00 0.25 0.31 -0.36 -2.11 0.00 0.00 174.94 173.02 2dko s PHE 128 N -0.86 3.46 1.03 3.50 0.40 -0.11 -0.44 117.98 124.96 2dko s PHE 128 Ca 0.10 0.61 -0.15 0.00 -0.60 0.00 0.00 56.93 56.89 2dko s PHE 128 Cb -0.10 -2.36 0.21 0.00 0.51 0.00 0.00 43.02 41.28 2dko s PHE 128 CO 0.03 0.22 1.16 0.20 0.70 0.00 0.00 175.22 177.53 2dko s GLY 129 N 0.51 1.62 0.46 4.36 0.00 0.84 -4.64 107.32 110.47 2dko s GLY 129 Ca 0.17 -0.79 0.31 0.00 0.00 0.00 0.00 44.72 44.41 2dko s GLY 129 CO 0.04 -0.07 1.93 -0.91 0.00 0.00 0.00 173.10 174.09 2dko h THR 130 N -1.93 0.00 -0.09 0.90 1.35 -1.29 -3.01 112.91 108.84 2dko h THR 130 Ca -0.48 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2dko h THR 130 Cb 1.30 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2dko h THR 130 CO 0.47 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.28 2dko n ASN 131 N -2.77 2.20 0.00 5.36 6.94 -1.26 -0.76 115.26 124.97 2dko n ASN 131 Ca 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 2dko n ASN 131 Cb 0.24 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 2dko n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dko n GLY 132 N -0.21 2.23 3.82 4.83 0.00 -1.14 -4.93 105.19 109.78 2dko n GLY 132 Ca 0.03 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2dko n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dko s PRO 133 N -1.87 3.42 -0.09 1.61 0.04 -1.26 -0.11 135.00 136.74 2dko s PRO 133 Ca 0.00 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.14 2dko s PRO 133 Cb 0.00 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2dko s PRO 133 CO 0.00 -0.72 -0.14 0.08 0.04 0.00 0.00 177.00 176.26 2dko s VAL 134 N -2.63 1.34 0.19 -0.36 1.01 0.42 -4.79 120.40 115.58 2dko s VAL 134 Ca 0.61 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 2dko s VAL 134 Cb -0.14 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 2dko s VAL 134 CO 0.39 0.41 1.50 -1.81 0.00 0.00 0.00 175.10 175.59 2dko s ASP 135 N 0.86 6.63 0.35 3.32 -0.00 -1.26 -1.11 116.67 125.47 2dko s ASP 135 Ca -0.10 2.61 0.05 0.00 -0.00 0.00 0.00 52.55 55.11 2dko s ASP 135 Cb -0.15 -2.60 0.70 0.00 -0.00 0.00 0.00 42.92 40.86 2dko s ASP 135 CO 0.01 -0.76 1.94 0.25 -0.00 0.00 0.00 175.17 176.61 2dko h LEU 136 N 6.12 0.72 -1.66 1.23 5.85 -1.39 -1.56 115.31 124.62 2dko h LEU 136 Ca -0.44 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2dko h LEU 136 Cb 1.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2dko h LEU 136 CO 0.86 0.46 0.06 0.50 -0.34 0.00 0.00 178.44 179.97 2dko h LYS 137 N 0.81 0.28 -0.72 1.25 1.63 -1.91 -0.85 116.57 117.06 2dko h LYS 137 Ca 0.34 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.06 2dko h LYS 137 Cb 0.27 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 2dko h LYS 137 CO -0.12 0.25 0.27 -0.22 -3.45 0.00 0.00 179.45 176.19 2dko h LYS 138 N 0.28 1.08 0.19 1.90 3.64 -1.67 0.42 116.57 122.41 2dko h LYS 138 Ca 0.07 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2dko h LYS 138 Cb 0.10 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2dko h LYS 138 CO -0.00 0.90 -0.09 0.82 -2.27 0.00 0.00 179.45 178.80 2dko h ILE 139 N 1.03 0.92 0.00 2.00 2.04 -1.27 -3.26 117.51 118.97 2dko h ILE 139 Ca 0.24 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 2dko h ILE 139 Cb 0.23 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2dko h ILE 139 CO -0.02 0.14 -0.41 0.71 0.00 0.00 0.00 178.15 178.57 2dko h THR 140 N -0.56 1.08 0.00 -0.27 1.35 -1.10 -3.03 112.91 110.39 2dko h THR 140 Ca -0.03 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.30 2dko h THR 140 Cb 0.42 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2dko h THR 140 CO 0.04 0.40 -0.04 0.78 -0.25 0.00 0.00 175.52 176.45 2dko h ASN 141 N 0.00 0.00 0.04 5.36 2.35 -0.95 -0.47 115.58 121.91 2dko h ASN 141 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2dko h ASN 141 Cb 0.84 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 2dko h ASN 141 CO 0.05 0.04 -0.01 -0.26 -1.65 0.00 0.00 177.43 175.61 2dko h PHE 142 N 0.00 0.00 -0.37 1.19 0.04 -1.64 -2.37 116.94 113.78 2dko h PHE 142 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2dko h PHE 142 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 2dko h PHE 142 CO 0.00 0.01 0.00 1.19 -0.60 0.00 0.00 178.31 178.91 2dko n PHE 143 N -3.51 0.49 -1.31 -0.55 3.72 -0.19 -3.92 117.46 112.18 2dko n PHE 143 Ca -0.03 -0.31 -0.36 0.00 -0.05 0.00 0.00 57.45 56.70 2dko n PHE 143 Cb 0.09 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 2dko n PHE 143 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2dko n ARG 144 N 1.16 0.37 0.17 -1.08 1.74 -0.89 -4.54 116.66 113.59 2dko n ARG 144 Ca 0.16 0.16 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 2dko n ARG 144 Cb 0.52 -1.85 0.67 0.00 -1.02 0.00 0.00 32.46 30.78 2dko n ARG 144 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2dko h GLY 145 N -0.24 0.00 1.35 -0.13 0.00 -1.91 -0.07 103.07 102.07 2dko h GLY 145 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2dko h GLY 145 CO 0.44 0.00 -0.50 1.29 0.00 0.00 0.00 176.54 177.77 2dko h ASP 146 N 0.00 0.00 0.00 0.19 2.03 -1.96 -3.39 116.42 113.29 2dko h ASP 146 Ca 0.09 -0.15 -0.01 0.00 -0.73 0.00 0.00 57.03 56.23 2dko h ASP 146 Cb 0.37 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.87 2dko h ASP 146 CO -0.00 0.08 -1.66 0.54 -1.03 0.00 0.00 179.24 177.17 2dko n ARG 147 N -2.20 0.47 -3.75 4.15 1.74 -0.17 -4.71 116.66 112.18 2dko n ARG 147 Ca 0.04 -0.13 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 2dko n ARG 147 Cb 0.45 -1.34 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 2dko n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dko h ARG 149 N 6.02 0.00 0.00 0.00 2.47 -1.84 -1.84 114.38 119.19 2dko h ARG 149 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2dko h ARG 149 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2dko h ARG 149 CO 0.57 0.34 0.00 -1.13 0.56 0.00 0.00 179.97 180.31 2dko n SER 150 N -3.77 0.00 -0.36 7.04 3.41 -1.26 -2.36 113.62 116.32 2dko n SER 150 Ca -0.01 -0.74 0.05 0.00 -0.26 0.00 0.00 58.87 57.91 2dko n SER 150 Cb 0.42 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.34 2dko n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2dko n LEU 151 N -1.06 1.66 -4.73 1.04 4.77 -0.71 -4.12 117.00 113.85 2dko n LEU 151 Ca 0.20 -0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 54.83 2dko n LEU 151 Cb 0.13 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2dko n LEU 151 CO 0.17 0.32 1.29 0.41 -1.33 0.00 0.00 177.39 178.25 2dko n THR 152 N 0.33 0.57 -1.00 -5.08 -1.04 -1.00 -1.19 114.28 105.87 2dko n THR 152 Ca 0.05 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2dko n THR 152 Cb 0.24 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 2dko n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dko n GLY 153 N 2.94 0.98 3.63 3.41 0.00 -1.26 -5.02 105.19 109.87 2dko n GLY 153 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2dko n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dko s LYS 154 N -0.00 2.42 0.21 1.61 1.02 -0.33 -4.97 119.74 119.70 2dko s LYS 154 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 2dko s LYS 154 Cb 0.00 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 2dko s LYS 154 CO 0.00 0.55 1.23 -1.25 -0.92 0.00 0.00 175.35 174.96 2dko s PRO 155 N -2.08 4.46 -0.27 -1.68 0.04 -1.26 -4.92 135.00 129.30 2dko s PRO 155 Ca 0.22 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.25 2dko s PRO 155 Cb -0.11 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 31.29 2dko s PRO 155 CO 0.14 -0.11 -0.07 0.15 0.04 0.00 0.00 177.00 177.15 2dko s LYS 156 N -0.50 1.99 -0.21 4.56 1.02 -1.26 -1.71 119.74 123.63 2dko s LYS 156 Ca 0.53 -1.35 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 2dko s LYS 156 Cb -0.34 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 2dko s LYS 156 CO 0.39 -0.63 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.01 2dko s LEU 157 N 1.14 3.20 -0.19 3.17 2.96 0.28 -5.00 118.68 124.23 2dko s LEU 157 Ca -0.05 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2dko s LEU 157 Cb -0.20 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.68 2dko s LEU 157 CO -0.06 0.04 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.52 2dko s PHE 158 N 1.12 2.85 -0.22 5.38 0.40 -1.26 -0.68 117.98 125.57 2dko s PHE 158 Ca 0.02 -1.30 -0.05 0.00 -0.60 0.00 0.00 56.93 55.01 2dko s PHE 158 Cb -0.14 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2dko s PHE 158 CO 0.01 -0.67 -0.02 0.42 0.70 0.00 0.00 175.22 175.66 2dko s ILE 159 N 1.30 3.58 -0.26 0.64 1.01 0.10 -4.99 121.20 122.58 2dko s ILE 159 Ca 0.04 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.27 2dko s ILE 159 Cb -0.14 -2.64 0.07 0.00 0.01 0.00 0.00 42.46 39.77 2dko s ILE 159 CO -0.08 0.41 -0.00 -0.63 0.00 0.00 0.00 174.94 174.64 2dko s ILE 160 N 1.46 1.42 -0.52 2.92 1.09 -1.26 -0.69 121.20 125.62 2dko s ILE 160 Ca 0.05 -1.34 -0.15 0.00 -1.10 0.00 0.00 60.65 58.12 2dko s ILE 160 Cb -0.14 -1.82 0.13 0.00 -1.06 0.00 0.00 42.46 39.56 2dko s ILE 160 CO -0.02 -0.28 0.46 -1.58 -0.10 0.00 0.00 174.94 173.43 2dko s GLN 161 N 1.41 2.89 -0.14 2.79 2.00 -0.24 -4.99 119.66 123.37 2dko s GLN 161 Ca -0.00 -1.70 -0.30 0.00 -2.00 0.00 0.00 55.36 51.35 2dko s GLN 161 Cb -0.18 -4.22 0.12 0.00 0.80 0.00 0.00 33.01 29.53 2dko s GLN 161 CO -0.10 -1.29 0.99 0.00 -0.50 0.00 0.00 175.29 174.39 2dko s ALA 162 N 1.55 -1.92 0.74 1.58 0.00 -1.26 -2.04 121.76 120.42 2dko s ALA 162 Ca 0.04 1.50 -0.15 0.00 0.00 0.00 0.00 51.96 53.34 2dko s ALA 162 Cb -0.29 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.37 2dko s ALA 162 CO 0.02 -0.38 1.21 0.00 0.00 0.00 0.00 175.76 176.61 2dko n ARG 164 N -2.77 1.13 0.00 0.00 1.74 -1.26 -2.45 116.66 113.04 2dko n ARG 164 Ca 0.13 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 2dko n ARG 164 Cb 0.50 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 2dko n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dko n GLY 165 N -0.95 0.93 0.00 -0.13 0.00 -1.26 -3.16 105.19 100.62 2dko n GLY 165 Ca 0.14 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2dko n GLY 165 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dko n THR 166 N 8.09 0.84 -2.64 2.61 5.66 -1.26 -4.97 114.28 122.61 2dko n THR 166 Ca 0.00 -0.85 -0.33 0.00 -3.05 0.00 0.00 64.05 59.82 2dko n THR 166 Cb 0.00 0.58 -0.05 0.00 -1.55 0.00 0.00 70.33 69.31 2dko n THR 166 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2dko s GLU 167 N -0.85 4.01 -0.05 1.09 2.02 -1.26 -5.05 118.70 118.60 2dko s GLU 167 Ca 0.00 1.19 0.06 0.00 0.02 0.00 0.00 54.97 56.25 2dko s GLU 167 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 32.08 2dko s GLU 167 CO 0.00 -0.23 -0.25 -0.51 0.02 0.00 0.00 175.26 174.29 2dko s LEU 168 N -3.44 2.10 -0.37 1.80 1.43 -1.26 -5.09 118.68 113.85 2dko s LEU 168 Ca 0.64 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 2dko s LEU 168 Cb -0.12 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.73 2dko s LEU 168 CO 0.18 0.27 0.42 -0.62 0.23 0.00 0.00 176.35 176.83 2dko s ASP 169 N -0.29 6.21 0.24 2.29 -1.08 -1.26 -4.95 116.67 117.83 2dko s ASP 169 Ca 0.00 -0.34 0.25 0.00 -0.52 0.00 0.00 52.55 51.94 2dko s ASP 169 Cb -0.13 -2.22 0.87 0.00 -1.46 0.00 0.00 42.92 39.98 2dko s ASP 169 CO 0.02 -0.45 1.76 0.00 0.52 0.00 0.00 175.17 177.02 2dko n GLY 171 N 0.84 -1.96 2.86 0.00 0.00 -1.26 -4.98 105.19 100.69 2dko n GLY 171 Ca 0.04 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 2dko n GLY 171 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dko s ILE 172 N -2.14 -0.01 0.43 -0.61 1.10 -1.26 -5.14 121.20 113.56 2dko s ILE 172 Ca 0.00 0.05 -0.25 0.00 -0.51 0.00 0.00 60.65 59.93 2dko s ILE 172 Cb 0.00 -0.04 -0.08 0.00 0.15 0.00 0.00 42.46 42.49 2dko s ILE 172 CO 0.00 0.02 1.35 -0.70 -2.11 0.00 0.00 174.94 173.50 2dko s GLU 173 N 0.24 3.81 0.00 3.50 2.56 -1.26 -5.34 118.70 122.22 2dko s GLU 173 Ca -0.02 2.25 0.21 0.00 0.00 0.00 0.00 54.97 57.41 2dko s GLU 173 Cb -0.03 -2.69 0.16 0.00 2.00 0.00 0.00 34.13 33.58 2dko s GLU 173 CO -0.01 -0.65 1.16 0.25 -0.56 0.00 0.00 175.26 175.45