#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 6.74 0.54 2.98 -0.87 -1.26 -4.90 114.94 118.18 2kk2 s ASN 2 Ca 0.00 1.53 0.30 0.00 -1.57 0.00 0.00 52.86 53.12 2kk2 s ASN 2 Cb 0.00 -2.54 1.47 0.00 -0.02 0.00 0.00 41.25 40.16 2kk2 s ASN 2 CO 0.00 -0.96 1.90 -0.65 -2.57 0.00 0.00 177.10 174.82 2kk2 h PRO 3 N 9.06 0.00 0.00 -0.60 0.11 -1.94 -2.28 132.00 136.35 2kk2 h PRO 3 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2kk2 h PRO 3 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kk2 h PRO 3 CO 1.00 0.00 0.04 0.39 -0.21 0.00 0.00 178.00 179.21 2kk2 n GLU 4 N -4.20 0.00 0.07 1.05 1.02 -1.26 -1.17 120.64 116.14 2kk2 n GLU 4 Ca 0.16 0.35 -0.07 0.00 -0.02 0.00 0.00 57.16 57.57 2kk2 n GLU 4 Cb 0.87 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 30.64 2kk2 n GLU 4 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2kk2 h ASP 5 N 0.00 0.02 -0.47 1.62 3.32 -1.82 -3.29 116.42 115.80 2kk2 h ASP 5 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kk2 h ASP 5 Cb 0.07 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2kk2 h ASP 5 CO 0.00 1.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.99 2kk2 n ASP 6 N -3.38 4.70 -4.70 6.45 8.00 -0.32 -4.99 116.55 122.31 2kk2 n ASP 6 Ca -0.00 -2.78 -0.42 0.00 0.71 0.00 0.00 54.79 52.29 2kk2 n ASP 6 Cb 0.93 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.45 2.64 -0.72 1.24 5.04 -1.17 -2.14 117.35 119.78 2kk2 s TYR 7 Ca 0.47 0.38 0.04 0.00 -2.44 0.00 0.00 57.07 55.52 2kk2 s TYR 7 Cb 0.35 -3.99 0.22 0.00 0.35 0.00 0.00 41.96 38.89 2kk2 s TYR 7 CO 0.16 -3.88 0.71 0.25 -1.34 0.00 0.00 175.55 171.44 2kk2 n THR 8 N 4.42 2.39 0.30 4.34 -2.24 -0.52 -4.92 114.28 118.04 2kk2 n THR 8 Ca 0.15 -5.14 0.19 0.00 -2.27 0.00 0.00 64.05 56.98 2kk2 n THR 8 Cb 0.39 -2.16 0.90 0.00 -2.10 0.00 0.00 70.33 67.36 2kk2 n THR 8 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kk2 h PRO 9 N 4.87 0.00 -0.08 -0.78 0.13 -1.84 0.58 132.00 134.88 2kk2 h PRO 9 Ca 0.18 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.33 2kk2 h PRO 9 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kk2 h PRO 9 CO 0.83 0.03 0.29 -0.07 -0.23 0.00 0.00 178.00 178.84 2kk2 h LEU 10 N 0.00 0.00 0.00 1.56 4.07 -1.97 -2.92 115.31 116.05 2kk2 h LEU 10 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2kk2 h LEU 10 Cb 0.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 2kk2 h LEU 10 CO 0.00 0.00 -1.10 1.07 -1.08 0.00 0.00 178.44 177.33 2kk2 n THR 11 N -3.13 0.10 -2.16 0.22 5.66 -0.50 -5.06 114.28 109.42 2kk2 n THR 11 Ca -0.00 -0.05 -0.43 0.00 -3.05 0.00 0.00 64.05 60.52 2kk2 n THR 11 Cb 0.36 -0.71 -0.02 0.00 -1.55 0.00 0.00 70.33 68.41 2kk2 n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kk2 n PRO 13 N 7.84 0.28 -4.43 0.00 -0.04 -1.26 -4.69 135.00 132.70 2kk2 n PRO 13 Ca 0.19 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.45 2kk2 n PRO 13 Cb 0.46 -1.12 -0.15 0.00 -0.04 0.00 0.00 33.50 32.65 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 -2.00 0.97 0.83 0.54 3.76 -1.26 -5.13 115.29 112.99 2kk2 s HIS 14 Ca 0.03 -0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 54.62 2kk2 s HIS 14 Cb 0.02 -0.61 0.09 0.00 1.11 0.00 0.00 32.58 33.18 2kk2 s HIS 14 CO 0.03 -0.01 1.10 0.95 -0.85 0.00 0.00 174.74 175.95 2kk2 s THR 15 N -0.34 2.95 0.53 1.30 -4.23 -1.26 -4.62 115.64 109.96 2kk2 s THR 15 Ca 0.03 0.31 0.33 0.00 -1.18 0.00 0.00 61.69 61.18 2kk2 s THR 15 Cb -0.05 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.18 2kk2 s THR 15 CO -0.00 -0.40 2.21 -0.29 -0.54 0.00 0.00 174.62 175.59 2kk2 h ILE 16 N -1.22 0.39 -0.05 2.99 2.10 -2.00 0.14 117.51 119.87 2kk2 h ILE 16 Ca -0.48 -0.20 -0.18 0.00 1.08 0.00 0.00 64.86 65.08 2kk2 h ILE 16 Cb 1.27 1.14 -0.01 0.00 -1.09 0.00 0.00 36.82 38.13 2kk2 h ILE 16 CO 0.58 0.04 -0.76 0.28 -1.08 0.00 0.00 178.15 177.21 2kk2 h SER 17 N 0.00 0.37 -0.68 2.19 0.02 -2.06 -3.37 113.55 110.02 2kk2 h SER 17 Ca -0.00 -0.25 -0.39 0.00 -0.84 0.00 0.00 61.79 60.31 2kk2 h SER 17 Cb 0.14 -0.11 -0.41 0.00 0.14 0.00 0.00 62.40 62.15 2kk2 h SER 17 CO 0.01 0.99 -0.99 1.33 -1.14 0.00 0.00 176.83 177.03 2kk2 n VAL 18 N -3.79 1.77 -0.13 2.27 0.24 -0.19 -4.72 118.33 113.78 2kk2 n VAL 18 Ca -0.04 -3.55 -0.28 0.00 -2.04 0.00 0.00 64.34 58.43 2kk2 n VAL 18 Cb 0.72 0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 33.18 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 -0.58 1.53 0.13 3.34 3.14 0.33 -4.23 118.33 122.00 2kk2 n VAL 19 Ca 0.23 -0.34 -0.07 0.00 -2.96 0.00 0.00 64.34 61.20 2kk2 n VAL 19 Cb 0.85 -1.91 -0.03 0.00 -1.06 0.00 0.00 33.84 31.69 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 -1.00 -0.47 -0.85 1.45 2.91 -1.83 -0.73 115.95 115.42 2kk2 h TRP 20 Ca -0.65 -0.00 0.21 0.00 1.13 0.00 0.00 58.89 59.58 2kk2 h TRP 20 Cb 1.57 0.17 -0.15 0.00 -0.51 0.00 0.00 29.16 30.24 2kk2 h TRP 20 CO -0.09 -0.25 0.04 -0.92 -1.03 0.00 0.00 178.44 176.20 2kk2 h TYR 21 N -0.39 -0.00 0.00 2.65 5.03 -1.87 -0.57 116.97 121.81 2kk2 h TYR 21 Ca -0.03 0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 2kk2 h TYR 21 Cb 0.32 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 2kk2 h TYR 21 CO -0.03 -0.30 -0.32 1.05 -1.32 0.00 0.00 178.16 177.25 2kk2 h GLU 22 N 0.09 0.00 -0.06 1.82 -0.00 -1.58 0.13 114.58 114.98 2kk2 h GLU 22 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.85 2kk2 h GLU 22 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.69 2kk2 h GLU 22 CO -0.75 0.32 0.00 0.00 -0.00 0.00 0.00 179.01 178.57 2kk2 n THR 24 N 0.78 0.00 0.02 0.00 -2.24 -0.34 -3.72 114.28 108.78 2kk2 n THR 24 Ca 0.09 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2kk2 n THR 24 Cb 0.36 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 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 -0.06 0.00 -2.05 -0.78 0.00 0.42 -4.13 120.64 114.04 2kk2 n GLU 25 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 2kk2 n GLU 25 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 31.44 31.31 2kk2 n GLU 25 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2kk2 s ASN 26 N -5.05 5.18 0.00 4.31 2.47 -0.94 -4.84 114.94 116.06 2kk2 s ASN 26 Ca 0.00 -0.39 0.14 0.00 0.42 0.00 0.00 52.86 53.02 2kk2 s ASN 26 Cb 0.00 -2.55 0.74 0.00 -1.45 0.00 0.00 41.25 37.99 2kk2 s ASN 26 CO 0.00 -2.64 1.30 0.35 -3.72 0.00 0.00 177.10 172.39 2kk2 n THR 27 N 7.69 0.35 -0.01 -5.21 -2.24 -1.26 -1.38 114.28 112.22 2kk2 n THR 27 Ca 0.35 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 62.32 2kk2 n THR 27 Cb 0.48 -0.87 0.52 0.00 -2.10 0.00 0.00 70.33 68.36 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 2.73 1.98 0.00 6.98 0.00 -1.92 -3.37 119.26 125.66 2kk2 h ALA 28 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kk2 h ALA 28 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kk2 h ALA 28 CO 0.00 -0.07 -0.29 0.27 0.00 0.00 0.00 179.25 179.17 2kk2 n ASN 29 N -4.47 1.43 -4.77 0.00 0.23 -0.90 -5.12 115.26 101.67 2kk2 n ASN 29 Ca 0.06 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.72 2kk2 n ASN 29 Cb 0.28 0.22 0.01 0.00 -2.08 0.00 0.00 39.78 38.21 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 0.61 0.92 0.35 0.00 0.00 -1.24 -3.49 105.19 102.34 2kk2 n GLY 31 Ca 0.05 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 2.88 0.89 0.00 2.61 2.02 -1.66 -0.94 112.91 118.72 2kk2 h THR 32 Ca 0.00 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2kk2 h THR 32 Cb 0.00 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.30 2kk2 h THR 32 CO 0.00 0.17 -0.00 0.00 0.37 0.00 0.00 175.52 176.06 2kk2 h ALA 33 N 1.53 -0.01 -0.54 6.16 0.00 -1.93 0.95 119.26 125.42 2kk2 h ALA 33 Ca 0.48 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.37 2kk2 h ALA 33 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 2kk2 h ALA 33 CO -0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 179.25 178.58 2kk2 h ASP 36 N 1.27 0.00 -0.31 0.00 3.58 -0.00 0.20 116.42 121.16 2kk2 h ASP 36 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2kk2 h ASP 36 Cb -0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2kk2 h ASP 36 CO -0.07 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.09 2kk2 n SER 37 N -2.85 2.70 0.00 2.28 7.64 -0.65 -4.48 113.62 118.26 2kk2 n SER 37 Ca 0.02 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.01 2kk2 n SER 37 Cb 0.37 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.00 0.62 0.25 0.00 0.08 0.67 -1.43 117.98 118.16 2kk2 s PHE 39 Ca 0.00 -1.12 0.02 0.00 0.12 0.00 0.00 56.93 55.95 2kk2 s PHE 39 Cb 0.00 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 2kk2 s PHE 39 CO 0.00 -0.42 0.06 -1.21 -0.10 0.00 0.00 175.22 173.55 2kk2 s GLU 40 N -3.96 1.39 4.52 0.44 2.02 -0.91 -4.05 118.70 118.15 2kk2 s GLU 40 Ca 0.12 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.37 2kk2 s GLU 40 Cb 0.08 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.92 2kk2 s GLU 40 CO -0.07 -0.23 0.00 1.28 0.02 0.00 0.00 175.26 176.27 2kk2 n LEU 41 N -0.46 0.00 -0.03 1.80 4.77 -1.26 -0.53 117.00 121.29 2kk2 n LEU 41 Ca -0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 2kk2 n LEU 41 Cb 0.66 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.67 2kk2 n LEU 41 CO 0.37 0.00 0.70 0.74 -1.33 0.00 0.00 177.39 177.87 2kk2 h THR 42 N 0.00 1.29 -0.23 -5.08 2.02 -1.98 -2.84 112.91 106.09 2kk2 h THR 42 Ca 0.00 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2kk2 h THR 42 Cb 0.00 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2kk2 h THR 42 CO 0.00 0.27 0.15 1.23 0.37 0.00 0.00 175.52 177.54 2kk2 h GLY 43 N -0.14 0.31 0.76 2.16 0.00 -1.52 -0.87 103.07 103.77 2kk2 h GLY 43 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2kk2 h GLY 43 CO 0.01 0.11 -0.39 -0.57 0.00 0.00 0.00 176.54 175.71 2kk2 h ASN 44 N 0.30 -0.93 -0.88 0.19 -0.73 -0.72 -1.38 115.58 111.43 2kk2 h ASN 44 Ca 0.09 0.04 0.09 0.00 1.87 0.00 0.00 56.30 58.38 2kk2 h ASN 44 Cb -0.02 0.25 -0.06 0.00 0.27 0.00 0.00 38.32 38.76 2kk2 h ASN 44 CO -0.02 -0.64 0.57 0.74 -0.37 0.00 0.00 177.43 177.71 2kk2 h THR 45 N -1.04 0.98 -0.97 -3.57 2.02 -1.20 -1.07 112.91 108.06 2kk2 h THR 45 Ca -0.10 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.79 2kk2 h THR 45 Cb 0.81 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 2kk2 h THR 45 CO 0.15 0.16 0.64 0.24 0.37 0.00 0.00 175.52 177.09 2kk2 h MET 46 N 0.89 1.27 0.48 6.66 2.86 -0.90 -0.25 114.93 125.94 2kk2 h MET 46 Ca 0.40 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 2kk2 h MET 46 Cb 0.37 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2kk2 h MET 46 CO -0.17 0.84 -0.45 0.00 1.06 0.00 0.00 176.91 178.19 2kk2 h LEU 48 N -0.92 -0.15 -0.30 0.00 4.07 -0.81 0.15 115.31 117.34 2kk2 h LEU 48 Ca -0.06 0.23 0.02 0.00 0.08 0.00 0.00 57.88 58.15 2kk2 h LEU 48 Cb 0.79 0.34 -0.02 0.00 1.08 0.00 0.00 40.66 42.85 2kk2 h LEU 48 CO -0.04 -0.25 0.16 -0.07 -1.08 0.00 0.00 178.44 177.16 2kk2 h LEU 49 N 0.12 0.24 0.17 1.67 4.07 -0.90 0.15 115.31 120.82 2kk2 h LEU 49 Ca 0.58 0.01 -0.30 0.00 0.08 0.00 0.00 57.88 58.25 2kk2 h LEU 49 Cb 1.23 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.95 2kk2 h LEU 49 CO -0.75 0.18 -1.40 -0.61 -1.08 0.00 0.00 178.44 174.78 2kk2 h GLN 50 N 0.32 0.36 0.34 1.13 5.75 -0.95 -2.73 115.11 119.34 2kk2 h GLN 50 Ca 0.12 -0.62 -0.02 0.00 -0.15 0.00 0.00 58.65 57.99 2kk2 h GLN 50 Cb 0.03 0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.82 2kk2 h GLN 50 CO -0.08 1.28 -0.17 0.00 -2.65 0.00 0.00 178.83 177.22 2kk2 h ALA 51 N 0.40 -1.10 0.00 3.38 0.00 -0.82 -3.34 119.26 117.79 2kk2 h ALA 51 Ca -0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kk2 h ALA 51 Cb 2.05 0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2kk2 h ALA 51 CO 0.22 -1.06 0.00 0.41 0.00 0.00 0.00 179.25 178.82 2kk2 n GLY 52 N -1.15 -0.95 1.21 0.00 0.00 0.53 -4.20 105.19 100.63 2kk2 n GLY 52 Ca -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.08 -1.15 -3.20 4.61 0.00 -1.03 -0.33 120.51 118.33 2kk2 n ALA 53 Ca 0.18 0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 2kk2 n ALA 53 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 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 0.10 -1.01 -3.26 0.00 0.00 -1.26 -2.41 120.51 112.66 2kk2 n ALA 54 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 2kk2 n ALA 54 Cb 0.08 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.70 -0.60 0.00 0.00 0.00 0.55 -5.04 105.19 99.40 2kk2 n GLY 55 Ca 0.05 1.11 0.00 0.00 0.00 0.00 0.00 46.02 47.18 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 -0.54 0.00 -0.01 1.61 7.64 -1.01 -5.09 113.62 116.22 2kk2 n SER 56 Ca -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 2kk2 n SER 56 Cb 0.59 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2kk2 n SER 56 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2kk2 h GLY 57 N 0.00 -0.04 -0.94 0.23 0.00 -1.85 -3.46 103.07 97.02 2kk2 h GLY 57 Ca 0.00 0.01 -0.44 0.00 0.00 0.00 0.00 47.33 46.90 2kk2 h GLY 57 CO 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 176.54 176.65 2kk2 s ASP 59 N -3.19 1.59 -0.01 0.00 2.15 -1.23 -4.75 116.67 111.23 2kk2 s ASP 59 Ca 0.67 -1.07 0.04 0.00 0.43 0.00 0.00 52.55 52.61 2kk2 s ASP 59 Cb -0.20 0.03 -0.01 0.00 -0.30 0.00 0.00 42.92 42.44 2kk2 s ASP 59 CO 0.60 -0.42 -0.12 -0.04 -0.17 0.00 0.00 175.17 175.02 2kk2 s MET 60 N -3.81 1.03 0.00 4.34 -1.94 -1.26 -1.61 119.30 116.06 2kk2 s MET 60 Ca 0.19 -0.43 0.07 0.00 -1.71 0.00 0.00 55.69 53.81 2kk2 s MET 60 Cb 0.04 -0.99 0.41 0.00 2.01 0.00 0.00 34.83 36.30 2kk2 s MET 60 CO 0.01 0.24 0.87 -0.85 -0.01 0.00 0.00 175.02 175.29