#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 0.48 0.41 2.98 -0.87 -1.26 -5.06 114.94 111.62 2kk2 s ASN 2 Ca 0.00 -0.07 0.17 0.00 -1.57 0.00 0.00 52.86 51.39 2kk2 s ASN 2 Cb 0.00 -0.10 0.88 0.00 -0.02 0.00 0.00 41.25 42.01 2kk2 s ASN 2 CO 0.00 0.02 1.87 1.55 -2.57 0.00 0.00 177.10 177.97 2kk2 h PRO 3 N 6.30 0.00 0.00 -0.60 0.13 -1.91 -1.71 132.00 134.22 2kk2 h PRO 3 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2kk2 h PRO 3 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kk2 h PRO 3 CO 0.50 0.31 0.00 0.39 -0.23 0.00 0.00 178.00 178.96 2kk2 n GLU 4 N -3.94 0.13 0.11 0.86 1.02 -1.26 -1.50 120.64 116.07 2kk2 n GLU 4 Ca -0.02 0.59 0.11 0.00 -0.02 0.00 0.00 57.16 57.83 2kk2 n GLU 4 Cb 0.37 -1.90 0.46 0.00 -0.02 0.00 0.00 31.44 30.36 2kk2 n GLU 4 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kk2 n ASP 5 N -2.18 0.59 -0.29 1.62 2.03 -0.64 -3.32 116.55 114.36 2kk2 n ASP 5 Ca -0.01 0.63 0.04 0.00 0.52 0.00 0.00 54.79 55.97 2kk2 n ASP 5 Cb 0.06 -0.76 0.05 0.00 -0.72 0.00 0.00 41.12 39.75 2kk2 n ASP 5 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kk2 n ASP 6 N -2.14 0.98 -4.75 1.67 8.00 -0.56 -5.08 116.55 114.67 2kk2 n ASP 6 Ca 0.03 -2.36 -0.41 0.00 0.71 0.00 0.00 54.79 52.75 2kk2 n ASP 6 Cb 0.24 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 2kk2 n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kk2 n TYR 7 N -0.57 2.91 -3.61 1.24 9.36 -1.15 -2.03 117.16 123.31 2kk2 n TYR 7 Ca 0.06 0.25 -0.38 0.00 3.32 0.00 0.00 57.90 61.16 2kk2 n TYR 7 Cb 0.65 -2.60 -0.06 0.00 -0.63 0.00 0.00 39.34 36.69 2kk2 n TYR 7 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2kk2 s THR 8 N -0.05 4.42 0.24 2.97 -4.23 -0.26 -4.90 115.64 113.83 2kk2 s THR 8 Ca 0.63 -3.54 0.36 0.00 -1.18 0.00 0.00 61.69 57.97 2kk2 s THR 8 Cb -0.48 -3.76 0.40 0.00 1.34 0.00 0.00 72.50 69.99 2kk2 s THR 8 CO 0.49 -1.04 2.09 1.55 -0.54 0.00 0.00 174.62 177.17 2kk2 h PRO 9 N 6.40 0.00 0.00 3.99 0.13 -1.89 -0.41 132.00 140.23 2kk2 h PRO 9 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 2kk2 h PRO 9 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 2kk2 h PRO 9 CO 0.83 0.00 -0.16 -0.07 -0.23 0.00 0.00 178.00 178.37 2kk2 h LEU 10 N 0.00 0.00 0.04 1.56 3.38 -1.93 -2.91 115.31 115.45 2kk2 h LEU 10 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2kk2 h LEU 10 Cb 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2kk2 h LEU 10 CO 0.00 0.16 -2.19 0.35 0.09 0.00 0.00 178.44 176.85 2kk2 n THR 11 N -3.40 1.60 -1.97 0.22 -2.24 -1.02 -5.02 114.28 102.45 2kk2 n THR 11 Ca -0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 2kk2 n THR 11 Cb 0.35 -1.67 -0.03 0.00 -2.10 0.00 0.00 70.33 66.88 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 7.79 0.75 -4.23 0.00 -0.04 -1.26 -4.75 135.00 133.25 2kk2 n PRO 13 Ca 0.21 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.49 2kk2 n PRO 13 Cb 0.44 -1.21 -0.11 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.44 1.37 0.54 0.54 3.76 -1.26 -5.15 115.29 113.64 2kk2 s HIS 14 Ca 0.00 -0.56 -0.11 0.00 -0.15 0.00 0.00 55.06 54.24 2kk2 s HIS 14 Cb 0.00 -0.72 -0.05 0.00 1.11 0.00 0.00 32.58 32.92 2kk2 s HIS 14 CO 0.00 0.13 0.94 0.95 -0.85 0.00 0.00 174.74 175.91 2kk2 s THR 15 N -2.10 4.71 0.26 1.30 -4.23 -1.26 -4.91 115.64 109.42 2kk2 s THR 15 Ca 0.08 0.80 0.36 0.00 -1.18 0.00 0.00 61.69 61.75 2kk2 s THR 15 Cb -0.05 -3.81 0.37 0.00 1.34 0.00 0.00 72.50 70.35 2kk2 s THR 15 CO 0.03 -0.89 2.09 -0.29 -0.54 0.00 0.00 174.62 175.01 2kk2 h ILE 16 N 0.29 0.00 -0.33 2.99 2.10 -2.00 -0.65 117.51 119.90 2kk2 h ILE 16 Ca -0.46 -0.13 -0.01 0.00 1.08 0.00 0.00 64.86 65.34 2kk2 h ILE 16 Cb 1.19 1.00 -0.02 0.00 -1.09 0.00 0.00 36.82 37.91 2kk2 h ILE 16 CO 0.62 0.00 0.15 -1.28 -1.08 0.00 0.00 178.15 176.56 2kk2 h SER 17 N 0.00 0.41 -1.66 2.19 0.87 -2.06 -3.34 113.55 109.96 2kk2 h SER 17 Ca 0.00 -0.03 -0.49 0.00 -1.23 0.00 0.00 61.79 60.04 2kk2 h SER 17 Cb 0.15 -0.10 -0.34 0.00 -0.44 0.00 0.00 62.40 61.66 2kk2 h SER 17 CO 0.00 0.36 -0.96 1.33 -0.53 0.00 0.00 176.83 177.03 2kk2 n VAL 18 N -4.42 -0.62 -0.01 2.23 0.24 -0.28 -4.90 118.33 110.57 2kk2 n VAL 18 Ca 0.02 -3.39 -0.01 0.00 -2.04 0.00 0.00 64.34 58.91 2kk2 n VAL 18 Cb 0.12 -1.21 -0.01 0.00 -1.47 0.00 0.00 33.84 31.27 2kk2 n VAL 18 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2kk2 n VAL 19 N 1.69 0.10 0.04 3.34 3.14 -1.06 -4.36 118.33 121.22 2kk2 n VAL 19 Ca 0.20 -0.04 -0.02 0.00 -2.96 0.00 0.00 64.34 61.53 2kk2 n VAL 19 Cb 0.54 -0.59 -0.01 0.00 -1.06 0.00 0.00 33.84 32.73 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 -0.09 -0.86 1.45 2.91 -1.89 -2.77 115.95 114.69 2kk2 h TRP 20 Ca -0.04 -0.00 0.20 0.00 1.13 0.00 0.00 58.89 60.18 2kk2 h TRP 20 Cb 1.06 0.03 -0.12 0.00 -0.51 0.00 0.00 29.16 29.62 2kk2 h TRP 20 CO 0.00 -0.06 0.34 -0.92 -1.03 0.00 0.00 178.44 176.78 2kk2 h TYR 21 N -0.11 0.57 -0.37 2.65 5.03 -1.92 0.11 116.97 122.93 2kk2 h TYR 21 Ca -0.01 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 2kk2 h TYR 21 Cb 0.08 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 2kk2 h TYR 21 CO 0.19 -0.05 0.08 1.05 -1.32 0.00 0.00 178.16 178.12 2kk2 h GLU 22 N 0.38 0.54 -0.07 1.82 -0.00 -1.77 -0.87 114.58 114.61 2kk2 h GLU 22 Ca 0.52 -0.09 0.00 0.00 -0.00 0.00 0.00 59.36 59.80 2kk2 h GLU 22 Cb 0.96 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.62 2kk2 h GLU 22 CO -0.52 0.50 0.00 0.00 -0.00 0.00 0.00 179.01 178.99 2kk2 n THR 24 N 0.83 0.17 0.00 0.00 -2.24 -0.10 -4.04 114.28 108.89 2kk2 n THR 24 Ca 0.09 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2kk2 n THR 24 Cb 0.38 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.09 0.00 -2.50 -0.78 2.13 -0.35 -4.71 120.64 114.33 2kk2 n GLU 25 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.43 2kk2 n GLU 25 Cb 0.50 -0.01 -0.03 0.00 0.27 0.00 0.00 31.44 32.17 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 -3.06 6.39 0.33 4.31 2.47 -1.12 -4.86 114.94 119.41 2kk2 s ASN 26 Ca 0.00 -1.61 0.24 0.00 0.42 0.00 0.00 52.86 51.91 2kk2 s ASN 26 Cb 0.00 -2.57 1.21 0.00 -1.45 0.00 0.00 41.25 38.44 2kk2 s ASN 26 CO 0.00 -1.61 1.73 0.71 -3.72 0.00 0.00 177.10 174.21 2kk2 h THR 27 N 6.55 0.00 0.00 -5.21 1.35 -1.86 0.71 112.91 114.45 2kk2 h THR 27 Ca 0.25 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 2kk2 h THR 27 Cb 0.98 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2kk2 h THR 27 CO 1.41 0.00 0.08 0.00 -0.25 0.00 0.00 175.52 176.76 2kk2 h ALA 28 N 2.06 1.08 0.00 6.62 0.00 -1.93 -3.31 119.26 123.78 2kk2 h ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kk2 h ALA 28 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kk2 h ALA 28 CO 0.00 -0.08 -0.38 0.09 0.00 0.00 0.00 179.25 178.87 2kk2 n ASN 29 N -3.03 1.79 -4.77 0.00 3.02 -0.21 -5.12 115.26 106.93 2kk2 n ASN 29 Ca -0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.16 2kk2 n ASN 29 Cb 0.15 0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.38 -2.19 0.22 0.00 0.00 -1.26 -1.47 105.19 100.87 2kk2 n GLY 31 Ca 0.07 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.81 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 1.01 -0.51 2.61 2.02 -1.46 -1.24 112.91 115.34 2kk2 h THR 32 Ca 0.00 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 2kk2 h THR 32 Cb 0.00 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2kk2 h THR 32 CO 0.00 0.11 0.05 0.00 0.37 0.00 0.00 175.52 176.05 2kk2 h ALA 33 N 1.26 0.68 -0.34 6.16 0.00 -1.95 -2.22 119.26 122.86 2kk2 h ALA 33 Ca 0.23 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kk2 h ALA 33 Cb 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 2kk2 h ALA 33 CO -0.13 0.45 -0.08 0.00 0.00 0.00 0.00 179.25 179.50 2kk2 h ASP 36 N -0.13 0.60 0.05 0.00 5.19 -1.11 0.20 116.42 121.22 2kk2 h ASP 36 Ca 0.01 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kk2 h ASP 36 Cb 0.14 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2kk2 h ASP 36 CO -0.04 0.43 0.00 -1.20 -3.12 0.00 0.00 179.24 175.31 2kk2 n SER 37 N -4.73 0.00 0.00 6.45 7.64 -0.54 -3.13 113.62 119.32 2kk2 n SER 37 Ca 0.04 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2kk2 n SER 37 Cb 0.04 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.18 -0.45 0.37 0.00 0.08 0.63 -1.10 117.98 117.33 2kk2 s PHE 39 Ca 0.00 0.82 0.05 0.00 0.12 0.00 0.00 56.93 57.92 2kk2 s PHE 39 Cb 0.00 0.24 -0.07 0.00 -0.57 0.00 0.00 43.02 42.62 2kk2 s PHE 39 CO 0.00 -0.46 0.04 -1.21 -0.10 0.00 0.00 175.22 173.49 2kk2 s GLU 40 N -0.99 1.81 5.02 0.44 0.41 -0.86 -4.17 118.70 120.36 2kk2 s GLU 40 Ca -0.10 -2.02 0.00 0.00 -0.41 0.00 0.00 54.97 52.44 2kk2 s GLU 40 Cb -0.03 -1.23 0.00 0.00 -1.78 0.00 0.00 34.13 31.09 2kk2 s GLU 40 CO 0.06 -0.13 0.00 1.28 -0.49 0.00 0.00 175.26 175.98 2kk2 n LEU 41 N -0.83 0.00 0.30 1.80 4.77 -1.26 -0.58 117.00 121.20 2kk2 n LEU 41 Ca -0.04 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.10 2kk2 n LEU 41 Cb 0.67 0.00 0.95 0.00 -2.33 0.00 0.00 43.42 42.71 2kk2 n LEU 41 CO 0.45 0.00 1.13 0.74 -1.33 0.00 0.00 177.39 178.38 2kk2 h THR 42 N 0.00 0.45 -0.24 -5.08 2.02 -1.98 -1.46 112.91 106.61 2kk2 h THR 42 Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2kk2 h THR 42 Cb 0.00 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2kk2 h THR 42 CO 0.00 0.01 0.06 1.23 0.37 0.00 0.00 175.52 177.18 2kk2 h GLY 43 N 0.05 0.41 0.59 2.16 0.00 -1.38 0.92 103.07 105.83 2kk2 h GLY 43 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.08 2kk2 h GLY 43 CO 0.00 0.24 -0.30 -0.57 0.00 0.00 0.00 176.54 175.91 2kk2 h ASN 44 N 0.21 -0.82 -0.46 0.19 -0.73 -0.24 -1.10 115.58 112.62 2kk2 h ASN 44 Ca 0.07 0.08 0.09 0.00 1.87 0.00 0.00 56.30 58.42 2kk2 h ASN 44 Cb 0.28 0.29 -0.10 0.00 0.27 0.00 0.00 38.32 39.07 2kk2 h ASN 44 CO 0.00 -0.41 -0.23 0.74 -0.37 0.00 0.00 177.43 177.16 2kk2 h THR 45 N -0.58 0.34 -0.67 -3.57 2.02 -1.12 -0.35 112.91 108.99 2kk2 h THR 45 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 2kk2 h THR 45 Cb 0.56 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2kk2 h THR 45 CO -0.11 0.00 0.24 0.24 0.37 0.00 0.00 175.52 176.26 2kk2 h MET 46 N -0.13 1.01 0.01 6.66 2.86 -0.49 0.28 114.93 125.14 2kk2 h MET 46 Ca 0.22 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2kk2 h MET 46 Cb 0.47 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2kk2 h MET 46 CO -0.54 0.87 -0.07 0.00 1.06 0.00 0.00 176.91 178.22 2kk2 h LEU 48 N -0.12 0.41 -1.66 0.00 3.38 -0.80 0.83 115.31 117.35 2kk2 h LEU 48 Ca 0.02 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.15 2kk2 h LEU 48 Cb 0.15 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2kk2 h LEU 48 CO -0.06 0.26 0.42 0.25 0.09 0.00 0.00 178.44 179.40 2kk2 h LEU 49 N 0.55 0.34 0.11 1.67 6.46 -0.56 0.11 115.31 123.98 2kk2 h LEU 49 Ca 0.28 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 2kk2 h LEU 49 Cb 0.24 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2kk2 h LEU 49 CO -0.21 0.20 -0.05 -0.61 -0.62 0.00 0.00 178.44 177.14 2kk2 h GLN 50 N 0.37 -0.14 -0.14 1.25 -0.00 -0.57 -3.28 115.11 112.60 2kk2 h GLN 50 Ca 0.29 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 59.00 2kk2 h GLN 50 Cb 0.65 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 28.09 2kk2 h GLN 50 CO -0.08 -0.09 -0.41 0.00 0.00 0.00 0.00 178.83 178.25 2kk2 h ALA 51 N -1.30 -0.56 -1.27 3.38 0.00 -0.35 -1.31 119.26 117.85 2kk2 h ALA 51 Ca -0.01 -0.00 -0.80 0.00 0.00 0.00 0.00 54.91 54.09 2kk2 h ALA 51 Cb 0.11 0.77 -0.27 0.00 0.00 0.00 0.00 17.79 18.40 2kk2 h ALA 51 CO 0.02 -0.91 1.00 0.41 0.00 0.00 0.00 179.25 179.77 2kk2 n GLY 52 N -1.43 6.12 0.00 0.00 0.00 0.33 -3.33 105.19 106.88 2kk2 n GLY 52 Ca -0.04 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.08 0.00 -2.32 4.61 0.00 -0.49 -4.72 120.51 117.50 2kk2 n ALA 53 Ca 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.87 2kk2 n ALA 53 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.73 2kk2 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk2 n ALA 54 N -3.00 3.31 0.18 0.00 0.00 -1.26 -4.95 120.51 114.79 2kk2 n ALA 54 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 53.44 52.48 2kk2 n ALA 54 Cb 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.61 -0.13 3.13 0.00 0.00 -1.26 -5.06 105.19 101.27 2kk2 n GLY 55 Ca -0.21 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 2kk2 n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kk2 n SER 56 N -0.48 -6.94 0.00 1.61 2.88 -1.26 -5.06 113.62 104.37 2kk2 n SER 56 Ca 0.02 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2kk2 n SER 56 Cb 0.08 -3.86 0.00 0.00 -0.75 0.00 0.00 64.21 59.68 2kk2 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kk2 n GLY 57 N -0.32 0.99 3.68 0.46 0.00 -1.26 -5.11 105.19 103.62 2kk2 n GLY 57 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.30 6.43 0.67 0.00 2.15 -0.54 -4.50 116.67 119.57 2kk2 s ASP 59 Ca 0.79 -0.07 -0.11 0.00 0.43 0.00 0.00 52.55 53.59 2kk2 s ASP 59 Cb -0.40 -2.40 -0.01 0.00 -0.30 0.00 0.00 42.92 39.82 2kk2 s ASP 59 CO 0.44 -0.93 1.05 -0.04 -0.17 0.00 0.00 175.17 175.51 2kk2 s MET 60 N 3.36 3.14 0.00 4.34 -1.94 -1.26 -1.14 119.30 125.79 2kk2 s MET 60 Ca 0.31 0.91 0.02 0.00 -1.71 0.00 0.00 55.69 55.22 2kk2 s MET 60 Cb -0.12 -2.02 0.02 0.00 2.01 0.00 0.00 34.83 34.72 2kk2 s MET 60 CO 0.23 -0.94 0.56 0.39 -0.01 0.00 0.00 175.02 175.25