#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk2 s ASN 2 N 0.00 6.94 0.61 2.98 -0.87 -1.26 -4.93 114.94 118.41 2kk2 s ASN 2 Ca 0.00 1.08 0.39 0.00 -1.57 0.00 0.00 52.86 52.77 2kk2 s ASN 2 Cb 0.00 -2.54 1.94 0.00 -0.02 0.00 0.00 41.25 40.63 2kk2 s ASN 2 CO 0.00 -0.87 2.20 1.55 -2.57 0.00 0.00 177.10 177.41 2kk2 h PRO 3 N 8.08 0.00 0.00 -0.60 0.13 -1.92 -1.75 132.00 135.93 2kk2 h PRO 3 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2kk2 h PRO 3 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2kk2 h PRO 3 CO 1.03 0.00 0.22 0.93 -0.23 0.00 0.00 178.00 179.95 2kk2 h GLU 4 N 0.00 0.00 -0.51 0.86 5.08 -1.93 -0.31 114.58 117.78 2kk2 h GLU 4 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2kk2 h GLU 4 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2kk2 h GLU 4 CO 0.00 0.00 0.18 -0.44 -1.00 0.00 0.00 179.01 177.75 2kk2 h ASP 5 N 0.00 0.68 -0.23 1.42 5.19 -1.73 -3.00 116.42 118.74 2kk2 h ASP 5 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2kk2 h ASP 5 Cb 0.44 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2kk2 h ASP 5 CO 0.00 0.63 0.00 0.47 -3.12 0.00 0.00 179.24 177.22 2kk2 n ASP 6 N -4.33 3.68 -4.73 6.45 8.00 -0.16 -4.97 116.55 120.49 2kk2 n ASP 6 Ca 0.04 -2.99 -0.42 0.00 0.71 0.00 0.00 54.79 52.13 2kk2 n ASP 6 Cb 0.17 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 2kk2 n ASP 6 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2kk2 s TYR 7 N -2.77 3.28 -0.31 1.24 5.04 -0.97 -2.14 117.35 120.72 2kk2 s TYR 7 Ca 0.40 1.14 0.01 0.00 -2.44 0.00 0.00 57.07 56.18 2kk2 s TYR 7 Cb 0.33 -3.60 0.09 0.00 0.35 0.00 0.00 41.96 39.13 2kk2 s TYR 7 CO 0.08 -1.96 0.06 0.95 -1.34 0.00 0.00 175.55 173.34 2kk2 s THR 8 N 0.60 1.42 0.30 4.34 -4.23 -0.49 -5.00 115.64 112.58 2kk2 s THR 8 Ca 0.60 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 2kk2 s THR 8 Cb -0.36 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.52 2kk2 s THR 8 CO 0.34 -0.58 1.72 1.55 -0.54 0.00 0.00 174.62 177.11 2kk2 h PRO 9 N 7.91 0.32 -0.21 3.99 0.13 -1.89 -3.11 132.00 139.14 2kk2 h PRO 9 Ca -0.11 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 2kk2 h PRO 9 Cb 1.02 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2kk2 h PRO 9 CO 0.48 0.63 -0.20 -0.07 -0.23 0.00 0.00 178.00 178.61 2kk2 h LEU 10 N 0.28 0.36 -1.08 1.56 3.38 -1.95 -1.79 115.31 116.07 2kk2 h LEU 10 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kk2 h LEU 10 Cb 0.74 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kk2 h LEU 10 CO 0.06 0.58 -0.34 0.35 0.09 0.00 0.00 178.44 179.18 2kk2 n THR 11 N -4.18 0.00 -3.19 0.22 -2.24 -1.25 -4.91 114.28 98.73 2kk2 n THR 11 Ca -0.00 -0.33 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 2kk2 n THR 11 Cb 0.35 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.76 2kk2 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kk2 n PRO 13 N 5.61 0.26 -4.20 0.00 -0.04 -1.26 -4.78 135.00 130.59 2kk2 n PRO 13 Ca -0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 2kk2 n PRO 13 Cb 0.49 -1.04 -0.10 0.00 -0.04 0.00 0.00 33.50 32.81 2kk2 n PRO 13 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kk2 s HIS 14 N -1.70 1.04 0.24 0.54 3.76 -1.26 -5.15 115.29 112.76 2kk2 s HIS 14 Ca 0.00 -1.08 0.05 0.00 -0.15 0.00 0.00 55.06 53.89 2kk2 s HIS 14 Cb 0.00 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 2kk2 s HIS 14 CO 0.00 -0.31 0.33 0.95 -0.85 0.00 0.00 174.74 174.86 2kk2 s THR 15 N -3.79 5.07 0.59 1.30 -4.23 -1.24 -4.89 115.64 108.45 2kk2 s THR 15 Ca 0.22 -1.07 0.43 0.00 -1.18 0.00 0.00 61.69 60.09 2kk2 s THR 15 Cb 0.07 -3.76 0.43 0.00 1.34 0.00 0.00 72.50 70.58 2kk2 s THR 15 CO 0.02 -0.33 2.32 -0.29 -0.54 0.00 0.00 174.62 175.79 2kk2 h ILE 16 N 1.23 0.00 -0.45 2.99 2.10 -2.00 -1.15 117.51 120.23 2kk2 h ILE 16 Ca -0.51 -0.01 -0.02 0.00 1.08 0.00 0.00 64.86 65.40 2kk2 h ILE 16 Cb 1.23 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.91 2kk2 h ILE 16 CO 0.61 0.00 0.20 0.28 -1.08 0.00 0.00 178.15 178.16 2kk2 h SER 17 N 0.00 0.59 -2.64 2.19 0.02 -2.06 -3.37 113.55 108.28 2kk2 h SER 17 Ca 0.00 -0.14 -0.59 0.00 -0.84 0.00 0.00 61.79 60.22 2kk2 h SER 17 Cb 0.01 -0.15 -0.39 0.00 0.14 0.00 0.00 62.40 62.01 2kk2 h SER 17 CO 0.00 0.57 -0.87 -0.69 -1.14 0.00 0.00 176.83 174.69 2kk2 s VAL 18 N -5.67 0.54 0.09 2.27 1.01 -0.45 -4.79 120.40 113.40 2kk2 s VAL 18 Ca -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.51 2kk2 s VAL 18 Cb 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2kk2 s VAL 18 CO 0.76 -1.08 0.00 0.55 0.00 0.00 0.00 175.10 175.33 2kk2 n VAL 19 N 3.38 0.03 0.29 2.92 3.14 -1.11 -3.70 118.33 123.28 2kk2 n VAL 19 Ca 0.19 0.01 -0.17 0.00 -2.96 0.00 0.00 64.34 61.42 2kk2 n VAL 19 Cb 0.41 -0.58 -0.09 0.00 -1.06 0.00 0.00 33.84 32.53 2kk2 n VAL 19 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 2kk2 h TRP 20 N 0.00 -0.65 -0.24 1.45 2.91 -1.87 0.58 115.95 118.13 2kk2 h TRP 20 Ca 0.00 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.06 2kk2 h TRP 20 Cb 0.05 0.21 -0.08 0.00 -0.51 0.00 0.00 29.16 28.84 2kk2 h TRP 20 CO 0.00 -0.40 -0.38 -0.92 -1.03 0.00 0.00 178.44 175.71 2kk2 h TYR 21 N -0.71 -1.08 0.00 2.65 3.20 -1.89 -2.42 116.97 116.73 2kk2 h TYR 21 Ca -0.07 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 2kk2 h TYR 21 Cb 0.54 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2kk2 h TYR 21 CO -0.04 -0.43 -0.30 1.05 -1.64 0.00 0.00 178.16 176.81 2kk2 h GLU 22 N -0.39 0.00 -0.37 1.82 -0.00 -1.67 -0.37 114.58 113.61 2kk2 h GLU 22 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.47 2kk2 h GLU 22 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.33 2kk2 h GLU 22 CO -0.45 0.30 0.00 0.00 -0.00 0.00 0.00 179.01 178.85 2kk2 n THR 24 N 1.41 0.00 0.00 0.00 -2.24 -0.86 -3.87 114.28 108.72 2kk2 n THR 24 Ca 0.18 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2kk2 n THR 24 Cb 0.58 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 2kk2 n THR 24 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kk2 n GLU 25 N -0.20 0.00 -2.29 -0.78 2.13 -0.20 -4.75 120.64 114.54 2kk2 n GLU 25 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 2kk2 n GLU 25 Cb 0.06 -0.26 -0.03 0.00 0.27 0.00 0.00 31.44 31.48 2kk2 n GLU 25 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2kk2 s ASN 26 N -4.44 5.82 0.17 4.31 2.47 -1.19 -4.81 114.94 117.28 2kk2 s ASN 26 Ca 0.00 -1.95 0.11 0.00 0.42 0.00 0.00 52.86 51.45 2kk2 s ASN 26 Cb 0.00 -2.58 0.62 0.00 -1.45 0.00 0.00 41.25 37.84 2kk2 s ASN 26 CO 0.00 -2.23 1.34 0.35 -3.72 0.00 0.00 177.10 172.83 2kk2 n THR 27 N 7.20 1.43 -0.09 -5.21 -2.24 -1.26 -1.18 114.28 112.93 2kk2 n THR 27 Ca 0.46 0.63 0.21 0.00 -2.27 0.00 0.00 64.05 63.08 2kk2 n THR 27 Cb 0.46 -1.63 0.65 0.00 -2.10 0.00 0.00 70.33 67.72 2kk2 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kk2 h ALA 28 N 1.94 2.50 0.00 6.98 0.00 -1.87 -3.38 119.26 125.42 2kk2 h ALA 28 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kk2 h ALA 28 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kk2 h ALA 28 CO 0.00 -0.69 -0.07 0.09 0.00 0.00 0.00 179.25 178.58 2kk2 n ASN 29 N -4.38 0.33 -4.71 0.00 3.02 -0.32 -5.12 115.26 104.08 2kk2 n ASN 29 Ca 0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.31 2kk2 n ASN 29 Cb 0.69 0.04 0.06 0.00 -0.61 0.00 0.00 39.78 39.97 2kk2 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kk2 n GLY 31 N 0.96 -0.86 0.13 0.00 0.00 -1.25 -0.87 105.19 103.30 2kk2 n GLY 31 Ca 0.15 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 2kk2 n GLY 31 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kk2 h THR 32 N 0.00 0.93 -0.71 2.61 2.02 -1.77 -1.39 112.91 114.59 2kk2 h THR 32 Ca 0.00 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 2kk2 h THR 32 Cb 0.00 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2kk2 h THR 32 CO 0.00 0.04 0.21 0.00 0.37 0.00 0.00 175.52 176.14 2kk2 h ALA 33 N 1.17 1.04 -0.59 6.16 0.00 -1.93 -0.42 119.26 124.70 2kk2 h ALA 33 Ca 0.12 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kk2 h ALA 33 Cb 0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2kk2 h ALA 33 CO -0.13 0.65 0.33 0.00 0.00 0.00 0.00 179.25 180.10 2kk2 h ASP 36 N -0.85 0.00 -0.36 0.00 3.58 -0.84 0.27 116.42 118.21 2kk2 h ASP 36 Ca -0.08 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.26 2kk2 h ASP 36 Cb 0.62 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.61 2kk2 h ASP 36 CO 0.13 0.00 0.02 -1.20 -2.88 0.00 0.00 179.24 175.31 2kk2 n SER 37 N -3.91 3.41 0.00 2.28 7.64 -1.07 -4.44 113.62 117.54 2kk2 n SER 37 Ca -0.01 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.53 2kk2 n SER 37 Cb 0.20 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2kk2 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk2 s PHE 39 N -0.71 0.41 0.39 0.00 0.08 0.81 -1.39 117.98 117.56 2kk2 s PHE 39 Ca 0.00 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.04 2kk2 s PHE 39 Cb 0.00 -0.33 -0.08 0.00 -0.57 0.00 0.00 43.02 42.04 2kk2 s PHE 39 CO 0.00 -0.05 0.02 -1.21 -0.10 0.00 0.00 175.22 173.88 2kk2 s GLU 40 N 0.25 1.88 4.07 0.44 2.02 -0.91 -3.97 118.70 122.48 2kk2 s GLU 40 Ca -0.02 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 52.91 2kk2 s GLU 40 Cb -0.06 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.74 2kk2 s GLU 40 CO -0.00 -0.09 0.00 1.28 0.02 0.00 0.00 175.26 176.47 2kk2 n LEU 41 N -0.90 0.00 0.15 1.80 4.77 -1.26 -0.67 117.00 120.89 2kk2 n LEU 41 Ca -0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.96 2kk2 n LEU 41 Cb 0.67 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.94 2kk2 n LEU 41 CO 0.47 0.00 0.54 0.74 -1.33 0.00 0.00 177.39 177.81 2kk2 h THR 42 N 0.00 1.03 -0.77 -5.08 2.02 -1.98 -2.98 112.91 105.15 2kk2 h THR 42 Ca 0.00 -2.01 -0.01 0.00 0.77 0.00 0.00 66.41 65.16 2kk2 h THR 42 Cb 0.00 2.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 2kk2 h THR 42 CO 0.00 0.50 0.45 1.23 0.37 0.00 0.00 175.52 178.07 2kk2 h GLY 43 N 2.57 1.14 0.57 2.16 0.00 -1.15 -1.74 103.07 106.62 2kk2 h GLY 43 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kk2 h GLY 43 CO 0.07 0.47 -0.35 -0.57 0.00 0.00 0.00 176.54 176.16 2kk2 h ASN 44 N 1.06 -0.96 -0.61 0.19 -0.73 -0.93 -1.82 115.58 111.79 2kk2 h ASN 44 Ca 0.28 0.09 0.10 0.00 1.87 0.00 0.00 56.30 58.64 2kk2 h ASN 44 Cb -0.01 0.33 -0.08 0.00 0.27 0.00 0.00 38.32 38.84 2kk2 h ASN 44 CO -0.05 -0.47 0.19 0.74 -0.37 0.00 0.00 177.43 177.47 2kk2 h THR 45 N -0.68 0.71 -0.66 -3.57 2.02 -1.28 -0.86 112.91 108.60 2kk2 h THR 45 Ca -0.01 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 2kk2 h THR 45 Cb 0.64 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2kk2 h THR 45 CO -0.10 0.06 0.09 0.24 0.37 0.00 0.00 175.52 176.18 2kk2 h MET 46 N 0.35 1.10 -0.08 6.66 2.86 -1.10 0.57 114.93 125.29 2kk2 h MET 46 Ca 0.32 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2kk2 h MET 46 Cb 0.43 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 2kk2 h MET 46 CO -0.35 1.02 -0.14 0.00 1.06 0.00 0.00 176.91 178.50 2kk2 h LEU 48 N -0.19 -0.06 -1.10 0.00 3.38 -0.93 -1.18 115.31 115.22 2kk2 h LEU 48 Ca 0.07 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2kk2 h LEU 48 Cb 0.29 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 2kk2 h LEU 48 CO -0.19 0.00 0.61 -0.07 0.09 0.00 0.00 178.44 178.88 2kk2 h LEU 49 N 0.11 0.89 0.19 1.67 4.07 -0.38 0.30 115.31 122.16 2kk2 h LEU 49 Ca 0.13 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 2kk2 h LEU 49 Cb 0.16 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2kk2 h LEU 49 CO -0.20 0.51 -0.09 -0.61 -1.08 0.00 0.00 178.44 176.97 2kk2 h GLN 50 N 0.97 -0.24 -0.27 1.13 5.75 -0.93 -2.77 115.11 118.74 2kk2 h GLN 50 Ca 0.45 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 59.03 2kk2 h GLN 50 Cb 0.40 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 28.93 2kk2 h GLN 50 CO -0.21 0.16 -0.32 0.00 -2.65 0.00 0.00 178.83 175.81 2kk2 h ALA 51 N -0.31 -0.28 -0.65 3.38 0.00 -0.86 -1.97 119.26 118.58 2kk2 h ALA 51 Ca -0.03 0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 2kk2 h ALA 51 Cb 0.52 0.66 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 2kk2 h ALA 51 CO 0.04 -0.76 0.43 0.41 0.00 0.00 0.00 179.25 179.37 2kk2 n GLY 52 N -1.41 3.65 0.00 0.00 0.00 0.06 -4.57 105.19 102.93 2kk2 n GLY 52 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2kk2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 n ALA 53 N -0.55 0.00 -3.55 4.61 0.00 -0.74 -4.92 120.51 115.36 2kk2 n ALA 53 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 2kk2 n ALA 53 Cb 1.24 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.64 2kk2 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk2 s ALA 54 N -2.86 -1.87 0.00 0.00 0.00 -1.26 -4.99 121.76 110.79 2kk2 s ALA 54 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2kk2 s ALA 54 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2kk2 s ALA 54 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2kk2 n GLY 55 N 0.74 1.60 3.64 0.00 0.00 -1.26 -4.97 105.19 104.95 2kk2 n GLY 55 Ca -0.13 -0.07 -0.53 0.00 0.00 0.00 0.00 46.02 45.29 2kk2 n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kk2 n SER 56 N 3.92 2.07 -1.62 1.61 7.64 -1.26 -4.85 113.62 121.13 2kk2 n SER 56 Ca 0.00 1.10 -0.05 0.00 1.01 0.00 0.00 58.87 60.93 2kk2 n SER 56 Cb 0.00 -1.20 0.01 0.00 -1.01 0.00 0.00 64.21 62.01 2kk2 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kk2 n GLY 57 N 3.23 2.93 3.85 0.23 0.00 -1.26 -4.87 105.19 109.31 2kk2 n GLY 57 Ca 0.21 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2kk2 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 s ASP 59 N -3.34 5.70 0.22 0.00 2.15 -0.05 -4.86 116.67 116.49 2kk2 s ASP 59 Ca 0.57 -1.79 0.08 0.00 0.43 0.00 0.00 52.55 51.85 2kk2 s ASP 59 Cb -0.10 -2.01 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 2kk2 s ASP 59 CO 0.37 -0.65 0.06 0.00 -0.17 0.00 0.00 175.17 174.78 2kk2 s MET 60 N 1.39 2.56 0.00 4.34 0.23 -1.26 -2.08 119.30 124.47 2kk2 s MET 60 Ca 0.05 -1.17 0.20 0.00 -1.03 0.00 0.00 55.69 53.74 2kk2 s MET 60 Cb -0.25 -2.38 1.18 0.00 -1.53 0.00 0.00 34.83 31.84 2kk2 s MET 60 CO 0.00 0.42 1.57 -0.85 -2.03 0.00 0.00 175.02 174.12