#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk2 n ASN 2 N 0.00 -3.71 0.31 2.98 5.15 -1.26 -4.62 115.26 114.11 2kk2 n ASN 2 Ca 0.00 0.37 0.20 0.00 -0.60 0.00 0.00 54.58 54.55 2kk2 n ASN 2 Cb 0.00 -1.98 1.01 0.00 -0.53 0.00 0.00 39.78 38.28 2kk2 n ASN 2 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2kk2 h PRO 3 N 1.02 0.00 0.00 1.20 0.13 -1.92 -1.12 132.00 131.31 2kk2 h PRO 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kk2 h PRO 3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kk2 h PRO 3 CO 0.00 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 178.71 2kk2 h GLU 4 N 0.00 0.00 0.00 0.86 5.08 -1.93 -0.74 114.58 117.86 2kk2 h GLU 4 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kk2 h GLU 4 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kk2 h GLU 4 CO 0.00 0.00 0.11 -0.44 -1.00 0.00 0.00 179.01 177.68 2kk2 h ASP 5 N 0.00 0.00 0.00 1.42 3.32 -1.46 -2.96 116.42 116.74 2kk2 h ASP 5 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kk2 h ASP 5 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2kk2 h ASP 5 CO 0.00 0.00 -0.20 0.47 -1.72 0.00 0.00 179.24 177.79 2kk2 n ASP 6 N -2.98 1.39 -4.76 6.45 9.92 -0.29 -5.07 116.55 121.21 2kk2 n ASP 6 Ca -0.03 -2.62 -0.41 0.00 -0.53 0.00 0.00 54.79 51.20 2kk2 n ASP 6 Cb 0.17 -0.33 -0.01 0.00 -0.64 0.00 0.00 41.12 40.31 2kk2 n ASP 6 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2kk2 s TYR 7 N -1.68 2.82 -0.66 1.24 5.04 -1.12 -2.01 117.35 120.98 2kk2 s TYR 7 Ca 0.19 1.05 0.03 0.00 -2.44 0.00 0.00 57.07 55.90 2kk2 s TYR 7 Cb 0.16 -3.93 0.16 0.00 0.35 0.00 0.00 41.96 38.70 2kk2 s TYR 7 CO 0.02 -2.92 0.44 0.95 -1.34 0.00 0.00 175.55 172.70 2kk2 s THR 8 N -0.48 3.02 0.35 4.34 -4.23 -0.46 -4.93 115.64 113.25 2kk2 s THR 8 Ca 0.57 -3.82 0.35 0.00 -1.18 0.00 0.00 61.69 57.61 2kk2 s THR 8 Cb -0.45 -3.00 0.38 0.00 1.34 0.00 0.00 72.50 70.77 2kk2 s THR 8 CO 0.52 -0.94 2.11 1.55 -0.54 0.00 0.00 174.62 177.32 2kk2 h PRO 9 N 5.96 0.00 0.00 3.99 0.13 -1.91 -2.91 132.00 137.26 2kk2 h PRO 9 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2kk2 h PRO 9 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2kk2 h PRO 9 CO 0.72 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.82 2kk2 n LEU 10 N -3.24 0.44 0.00 1.56 7.99 -1.26 -3.01 117.00 119.47 2kk2 n LEU 10 Ca -0.01 0.63 0.00 0.00 -0.01 0.00 0.00 56.01 56.62 2kk2 n LEU 10 Cb 0.23 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 2kk2 n LEU 10 CO 0.26 -0.57 0.02 0.35 -1.51 0.00 0.00 177.39 175.94 2kk2 n THR 11 N -2.01 0.00 -2.29 -5.08 -2.24 -1.21 -5.10 114.28 96.35 2kk2 n THR 11 Ca 0.01 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 2kk2 n THR 11 Cb 0.15 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 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 5.90 0.48 -3.87 0.00 -0.04 -1.26 -4.75 135.00 131.46 2kk2 n PRO 13 Ca 0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2kk2 n PRO 13 Cb 0.44 -1.12 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.49 0.13 0.28 0.54 3.76 -1.26 -5.16 115.29 112.09 2kk2 s HIS 14 Ca 0.00 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 54.49 2kk2 s HIS 14 Cb 0.00 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.60 2kk2 s HIS 14 CO 0.00 -0.48 0.40 0.95 -0.85 0.00 0.00 174.74 174.76 2kk2 s THR 15 N -3.23 4.76 -1.37 1.30 -4.23 -1.26 -4.88 115.64 106.73 2kk2 s THR 15 Ca 0.00 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.55 2kk2 s THR 15 Cb 0.02 -3.67 0.07 0.00 1.34 0.00 0.00 72.50 70.27 2kk2 s THR 15 CO -0.08 -0.26 1.00 0.00 -0.54 0.00 0.00 174.62 174.74 2kk2 n ILE 16 N -1.50 1.06 0.31 2.99 3.06 -1.26 -1.50 119.36 122.53 2kk2 n ILE 16 Ca -0.05 0.27 -0.18 0.00 -2.50 0.00 0.00 62.75 60.28 2kk2 n ILE 16 Cb 0.57 -1.19 -0.09 0.00 0.54 0.00 0.00 39.64 39.47 2kk2 n ILE 16 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2kk2 h SER 17 N 0.00 -1.19 0.00 9.51 0.02 -2.06 -3.39 113.55 116.44 2kk2 h SER 17 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2kk2 h SER 17 Cb 0.05 0.38 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kk2 h SER 17 CO 0.00 -0.63 0.00 1.33 -1.14 0.00 0.00 176.83 176.39 2kk2 n VAL 18 N -5.54 0.22 -0.15 2.27 0.24 -0.61 -4.85 118.33 109.91 2kk2 n VAL 18 Ca -0.12 -0.54 0.10 0.00 -2.04 0.00 0.00 64.34 61.73 2kk2 n VAL 18 Cb 0.44 0.99 0.42 0.00 -1.47 0.00 0.00 33.84 34.22 2kk2 n VAL 18 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2kk2 h VAL 19 N 0.21 0.94 0.35 3.34 3.04 -1.47 0.15 116.25 122.81 2kk2 h VAL 19 Ca 0.00 -0.20 -0.02 0.00 -1.01 0.00 0.00 66.70 65.47 2kk2 h VAL 19 Cb 0.20 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 2kk2 h VAL 19 CO 0.00 0.11 -0.17 -0.25 -1.01 0.00 0.00 177.57 176.25 2kk2 h TRP 20 N 0.59 -0.44 -0.88 3.17 2.91 -1.89 -1.56 115.95 117.85 2kk2 h TRP 20 Ca 0.32 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.43 2kk2 h TRP 20 Cb 0.45 0.14 -0.13 0.00 -0.51 0.00 0.00 29.16 29.12 2kk2 h TRP 20 CO -0.00 -0.27 -0.51 -0.92 -1.03 0.00 0.00 178.44 175.71 2kk2 h TYR 21 N -0.47 -1.56 0.00 2.65 3.20 -1.45 -1.05 116.97 118.28 2kk2 h TYR 21 Ca -0.05 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2kk2 h TYR 21 Cb 0.36 0.80 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2kk2 h TYR 21 CO 0.15 -0.40 0.00 1.05 -1.64 0.00 0.00 178.16 177.32 2kk2 h GLU 22 N -0.07 0.00 -0.00 1.82 4.11 -0.81 0.14 114.58 119.77 2kk2 h GLU 22 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2kk2 h GLU 22 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kk2 h GLU 22 CO -0.89 0.00 -0.69 0.00 0.07 0.00 0.00 179.01 177.50 2kk2 n THR 24 N -1.41 0.00 0.00 0.00 -2.24 -0.49 -1.81 114.28 108.34 2kk2 n THR 24 Ca 0.05 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2kk2 n THR 24 Cb 0.34 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.64 0.00 -2.10 -0.78 2.13 0.38 -4.26 120.64 115.37 2kk2 n GLU 25 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2kk2 n GLU 25 Cb 0.00 -0.36 -0.04 0.00 0.27 0.00 0.00 31.44 31.30 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 -3.89 5.31 0.63 4.31 2.47 -1.10 -4.84 114.94 117.82 2kk2 s ASN 26 Ca 0.00 -0.45 0.32 0.00 0.42 0.00 0.00 52.86 53.14 2kk2 s ASN 26 Cb 0.00 -2.55 1.73 0.00 -1.45 0.00 0.00 41.25 38.98 2kk2 s ASN 26 CO 0.00 -2.53 1.97 0.71 -3.72 0.00 0.00 177.10 173.53 2kk2 h THR 27 N 7.09 0.00 0.00 -5.21 1.35 -1.89 0.11 112.91 114.36 2kk2 h THR 27 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 2kk2 h THR 27 Cb 1.05 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2kk2 h THR 27 CO 1.23 0.00 -0.09 0.00 -0.25 0.00 0.00 175.52 176.41 2kk2 h ALA 28 N 1.50 1.22 0.00 6.62 0.00 -1.93 -3.37 119.26 123.31 2kk2 h ALA 28 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kk2 h ALA 28 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kk2 h ALA 28 CO 0.00 0.12 0.00 0.27 0.00 0.00 0.00 179.25 179.64 2kk2 n ASN 29 N -3.52 0.00 -4.74 0.00 0.23 -0.63 -5.08 115.26 101.51 2kk2 n ASN 29 Ca -0.02 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.66 2kk2 n ASN 29 Cb 0.23 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.98 2kk2 n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kk2 n GLY 31 N 0.78 0.95 0.22 0.00 0.00 -0.75 -1.76 105.19 104.63 2kk2 n GLY 31 Ca 0.13 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 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 1.00 -0.40 2.61 2.02 -1.85 -0.03 112.91 116.26 2kk2 h THR 32 Ca 0.00 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2kk2 h THR 32 Cb 0.00 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2kk2 h THR 32 CO 0.00 0.11 0.07 0.00 0.37 0.00 0.00 175.52 176.07 2kk2 h ALA 33 N 1.27 1.38 0.13 6.16 0.00 -1.91 0.13 119.26 126.42 2kk2 h ALA 33 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kk2 h ALA 33 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kk2 h ALA 33 CO -0.13 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.50 2kk2 n ASP 36 N -5.25 0.00 -0.01 0.00 8.00 0.41 -0.32 116.55 119.39 2kk2 n ASP 36 Ca 0.03 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2kk2 n ASP 36 Cb 0.23 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2kk2 n ASP 36 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kk2 n SER 37 N -1.50 1.66 0.00 -2.24 7.64 -0.58 -4.76 113.62 113.84 2kk2 n SER 37 Ca 0.02 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.25 2kk2 n SER 37 Cb 0.10 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.45 -0.18 0.28 0.00 0.08 0.57 -1.35 117.98 116.93 2kk2 s PHE 39 Ca 0.00 0.24 0.05 0.00 0.12 0.00 0.00 56.93 57.34 2kk2 s PHE 39 Cb 0.00 0.10 -0.06 0.00 -0.57 0.00 0.00 43.02 42.49 2kk2 s PHE 39 CO 0.00 -0.40 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.50 2kk2 s GLU 40 N -1.43 1.51 4.57 0.44 2.02 -0.85 -4.25 118.70 120.71 2kk2 s GLU 40 Ca -0.13 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.08 2kk2 s GLU 40 Cb -0.05 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 33.28 2kk2 s GLU 40 CO 0.04 -0.07 0.00 1.28 0.02 0.00 0.00 175.26 176.53 2kk2 n LEU 41 N -0.56 0.00 0.19 1.80 4.77 -1.26 -0.68 117.00 121.26 2kk2 n LEU 41 Ca -0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.97 2kk2 n LEU 41 Cb 0.64 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 42.10 2kk2 n LEU 41 CO 0.40 0.00 0.71 0.74 -1.33 0.00 0.00 177.39 177.91 2kk2 h THR 42 N 0.00 1.20 -0.02 -5.08 2.02 -1.98 -0.96 112.91 108.10 2kk2 h THR 42 Ca 0.00 -1.34 -0.26 0.00 0.77 0.00 0.00 66.41 65.59 2kk2 h THR 42 Cb 0.00 1.74 0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2kk2 h THR 42 CO 0.00 0.37 -0.99 1.23 0.37 0.00 0.00 175.52 176.50 2kk2 h GLY 43 N 1.27 0.78 0.63 2.16 0.00 -1.15 0.18 103.07 106.93 2kk2 h GLY 43 Ca -0.00 -1.33 0.01 0.00 0.00 0.00 0.00 47.33 46.00 2kk2 h GLY 43 CO 0.05 1.18 -0.27 -0.57 0.00 0.00 0.00 176.54 176.93 2kk2 h ASN 44 N 0.38 -0.75 -0.96 0.19 -0.73 -0.78 -0.05 115.58 112.89 2kk2 h ASN 44 Ca -0.12 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.16 2kk2 h ASN 44 Cb 1.64 0.27 -0.06 0.00 0.27 0.00 0.00 38.32 40.45 2kk2 h ASN 44 CO 0.20 -0.38 0.62 0.74 -0.37 0.00 0.00 177.43 178.24 2kk2 h THR 45 N -0.54 1.17 -0.60 -3.57 2.02 -1.03 0.16 112.91 110.51 2kk2 h THR 45 Ca 0.00 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2kk2 h THR 45 Cb 0.52 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 2kk2 h THR 45 CO -0.09 0.22 0.24 0.24 0.37 0.00 0.00 175.52 176.49 2kk2 h MET 46 N 1.21 0.90 -0.29 6.66 2.86 -0.75 0.08 114.93 125.61 2kk2 h MET 46 Ca 0.38 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 2kk2 h MET 46 Cb -0.01 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 2kk2 h MET 46 CO -0.12 0.77 0.07 0.00 1.06 0.00 0.00 176.91 178.69 2kk2 h LEU 48 N 0.18 0.09 -1.06 0.00 3.38 -0.59 0.51 115.31 117.81 2kk2 h LEU 48 Ca 0.13 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2kk2 h LEU 48 Cb 0.13 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 2kk2 h LEU 48 CO -0.16 0.08 0.62 -0.07 0.09 0.00 0.00 178.44 179.01 2kk2 h LEU 49 N 0.24 0.91 0.00 1.67 4.07 -0.29 0.62 115.31 122.54 2kk2 h LEU 49 Ca 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 2kk2 h LEU 49 Cb 0.17 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 2kk2 h LEU 49 CO -0.19 0.51 -0.13 -0.61 -1.08 0.00 0.00 178.44 176.94 2kk2 h GLN 50 N 0.99 0.00 -0.30 1.13 5.75 -0.46 -2.61 115.11 119.61 2kk2 h GLN 50 Ca 0.47 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.99 2kk2 h GLN 50 Cb 0.44 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 2kk2 h GLN 50 CO -0.23 0.70 0.14 0.00 -2.65 0.00 0.00 178.83 176.79 2kk2 h ALA 51 N -0.34 0.36 -0.21 3.38 0.00 -0.94 -2.22 119.26 119.29 2kk2 h ALA 51 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kk2 h ALA 51 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kk2 h ALA 51 CO -0.02 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.40 2kk2 n GLY 52 N -1.19 -0.02 0.33 0.00 0.00 0.21 -4.07 105.19 100.45 2kk2 n GLY 52 Ca -0.01 -0.22 0.18 0.00 0.00 0.00 0.00 46.02 45.97 2kk2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 h ALA 53 N 3.37 1.43 -3.84 4.61 0.00 -0.98 -3.48 119.26 120.37 2kk2 h ALA 53 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kk2 h ALA 53 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kk2 h ALA 53 CO 0.00 -0.13 -0.91 0.00 0.00 0.00 0.00 179.25 178.21 2kk2 n ALA 54 N -2.20 -2.05 0.00 0.00 0.00 -1.26 -4.99 120.51 110.02 2kk2 n ALA 54 Ca -0.01 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2kk2 n ALA 54 Cb 0.19 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2kk2 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk2 n GLY 55 N 0.03 3.06 0.16 0.00 0.00 -1.26 -4.96 105.19 102.22 2kk2 n GLY 55 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2kk2 n GLY 55 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kk2 h SER 56 N 0.00 -0.26 0.00 1.61 0.02 -1.90 -3.48 113.55 109.54 2kk2 h SER 56 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2kk2 h SER 56 Cb 0.00 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2kk2 h SER 56 CO 0.00 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 2kk2 n GLY 57 N -0.35 1.79 3.72 -3.77 0.00 -1.26 -4.86 105.19 100.47 2kk2 n GLY 57 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.33 6.30 -0.09 0.00 2.15 -0.72 -4.94 116.67 116.05 2kk2 s ASP 59 Ca 0.63 2.09 -0.05 0.00 0.43 0.00 0.00 52.55 55.66 2kk2 s ASP 59 Cb -0.18 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 39.90 2kk2 s ASP 59 CO 0.57 -0.81 0.20 -0.04 -0.17 0.00 0.00 175.17 174.92 2kk2 s MET 60 N -2.92 0.17 0.00 4.34 -1.94 -1.26 -2.78 119.30 114.91 2kk2 s MET 60 Ca 0.65 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 55.07 2kk2 s MET 60 Cb -0.22 -0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.51 2kk2 s MET 60 CO 0.27 -0.15 0.25 0.39 -0.01 0.00 0.00 175.02 175.77