#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 -6.87 0.20 2.98 5.15 -1.26 -4.52 115.26 110.94 2kk2 n ASN 2 Ca 0.00 1.35 0.18 0.00 -0.60 0.00 0.00 54.58 55.51 2kk2 n ASN 2 Cb 0.00 -4.28 0.81 0.00 -0.53 0.00 0.00 39.78 35.78 2kk2 n ASN 2 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2kk2 h PRO 3 N 4.14 0.00 0.00 1.20 0.11 -1.94 -1.37 132.00 134.13 2kk2 h PRO 3 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kk2 h PRO 3 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kk2 h PRO 3 CO 0.00 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.72 2kk2 h GLU 4 N 0.00 0.00 -0.83 1.05 5.08 -1.96 -1.54 114.58 116.38 2kk2 h GLU 4 Ca 0.10 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 2kk2 h GLU 4 Cb 0.78 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 2kk2 h GLU 4 CO -0.00 0.00 0.54 -0.44 -1.00 0.00 0.00 179.01 178.11 2kk2 h ASP 5 N 0.00 0.52 -0.36 1.42 3.32 -1.48 -2.92 116.42 116.92 2kk2 h ASP 5 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2kk2 h ASP 5 Cb 0.06 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2kk2 h ASP 5 CO 0.00 0.26 0.00 0.47 -1.72 0.00 0.00 179.24 178.25 2kk2 n ASP 6 N -4.52 3.20 -4.69 6.45 8.00 -0.59 -4.98 116.55 119.42 2kk2 n ASP 6 Ca 0.16 -2.19 -0.44 0.00 0.71 0.00 0.00 54.79 53.04 2kk2 n ASP 6 Cb 0.51 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.42 2.54 -3.68 1.24 9.36 -1.10 -2.42 117.16 123.51 2kk2 n TYR 7 Ca 0.14 0.11 -0.32 0.00 3.32 0.00 0.00 57.90 61.15 2kk2 n TYR 7 Cb 0.53 -2.63 -0.09 0.00 -0.63 0.00 0.00 39.34 36.53 2kk2 n TYR 7 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2kk2 n THR 8 N 3.86 2.49 0.31 2.97 -2.24 -0.92 -4.94 114.28 115.81 2kk2 n THR 8 Ca 0.17 -5.08 0.13 0.00 -2.27 0.00 0.00 64.05 57.00 2kk2 n THR 8 Cb 0.32 -2.25 0.61 0.00 -2.10 0.00 0.00 70.33 66.92 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 5.43 0.00 -0.02 -0.78 0.13 -1.88 -0.29 132.00 134.60 2kk2 h PRO 9 Ca 0.17 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 2kk2 h PRO 9 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2kk2 h PRO 9 CO 0.82 0.00 0.03 -0.07 -0.23 0.00 0.00 178.00 178.55 2kk2 h LEU 10 N 0.00 0.00 0.00 1.56 -0.00 -1.98 -3.28 115.31 111.61 2kk2 h LEU 10 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kk2 h LEU 10 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2kk2 h LEU 10 CO 0.00 0.00 -0.10 0.35 -0.00 0.00 0.00 178.44 178.69 2kk2 n THR 11 N -3.67 0.00 -3.00 0.22 -2.24 -0.89 -5.07 114.28 99.63 2kk2 n THR 11 Ca -0.02 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 2kk2 n THR 11 Cb 0.11 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.42 -4.44 0.00 -0.04 -1.26 -4.78 135.00 130.50 2kk2 n PRO 13 Ca 0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 2kk2 n PRO 13 Cb 0.49 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.36 0.74 0.54 3.76 -1.26 -5.14 115.29 113.28 2kk2 s HIS 14 Ca 0.17 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.62 2kk2 s HIS 14 Cb 0.08 -0.81 0.03 0.00 1.11 0.00 0.00 32.58 32.99 2kk2 s HIS 14 CO 0.13 0.04 1.08 0.95 -0.85 0.00 0.00 174.74 176.10 2kk2 s THR 15 N -0.79 3.57 -0.42 1.30 -4.23 -1.26 -4.76 115.64 109.04 2kk2 s THR 15 Ca 0.03 0.51 0.19 0.00 -1.18 0.00 0.00 61.69 61.24 2kk2 s THR 15 Cb -0.08 -3.32 0.19 0.00 1.34 0.00 0.00 72.50 70.63 2kk2 s THR 15 CO 0.01 -0.67 1.57 0.00 -0.54 0.00 0.00 174.62 175.00 2kk2 n ILE 16 N -3.20 1.12 -0.18 2.99 3.06 -1.26 -1.42 119.36 120.47 2kk2 n ILE 16 Ca 0.07 0.56 -0.08 0.00 -2.50 0.00 0.00 62.75 60.79 2kk2 n ILE 16 Cb 0.55 -1.53 0.01 0.00 0.54 0.00 0.00 39.64 39.22 2kk2 n ILE 16 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 2kk2 h SER 17 N 0.00 0.73 -0.87 9.51 0.87 -2.06 -3.38 113.55 118.35 2kk2 h SER 17 Ca 0.00 -0.19 -0.34 0.00 -1.23 0.00 0.00 61.79 60.03 2kk2 h SER 17 Cb 0.10 -0.19 -0.38 0.00 -0.44 0.00 0.00 62.40 61.50 2kk2 h SER 17 CO 0.00 0.73 -1.11 1.33 -0.53 0.00 0.00 176.83 177.24 2kk2 n VAL 18 N -4.51 0.91 -0.10 2.23 0.24 -0.52 -4.85 118.33 111.73 2kk2 n VAL 18 Ca 0.02 -2.89 -0.22 0.00 -2.04 0.00 0.00 64.34 59.21 2kk2 n VAL 18 Cb 0.18 0.74 -0.12 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.15 1.57 0.36 3.34 3.14 -0.51 -4.22 118.33 121.86 2kk2 n VAL 19 Ca 0.08 -0.48 -0.14 0.00 -2.96 0.00 0.00 64.34 60.84 2kk2 n VAL 19 Cb 0.82 -1.67 -0.07 0.00 -1.06 0.00 0.00 33.84 31.86 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 -0.35 -0.84 -0.74 1.45 2.91 -1.87 -0.72 115.95 115.78 2kk2 h TRP 20 Ca -0.56 -0.02 0.17 0.00 1.13 0.00 0.00 58.89 59.61 2kk2 h TRP 20 Cb 1.79 0.28 -0.13 0.00 -0.51 0.00 0.00 29.16 30.59 2kk2 h TRP 20 CO 0.02 -0.52 0.01 -0.92 -1.03 0.00 0.00 178.44 176.00 2kk2 h TYR 21 N -0.91 -0.04 -0.49 2.65 3.20 -1.94 -2.26 116.97 117.18 2kk2 h TYR 21 Ca -0.09 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 2kk2 h TYR 21 Cb 0.70 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2kk2 h TYR 21 CO 0.08 -0.23 0.11 1.05 -1.64 0.00 0.00 178.16 177.53 2kk2 h GLU 22 N 0.11 0.80 -0.05 1.82 -0.00 -1.64 0.24 114.58 115.86 2kk2 h GLU 22 Ca 0.40 -0.20 0.00 0.00 -0.00 0.00 0.00 59.36 59.57 2kk2 h GLU 22 Cb 0.71 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.36 2kk2 h GLU 22 CO -0.65 0.78 0.00 0.00 -0.00 0.00 0.00 179.01 179.14 2kk2 n THR 24 N 0.42 0.38 0.00 0.00 -2.24 -0.90 -4.02 114.28 107.93 2kk2 n THR 24 Ca 0.18 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2kk2 n THR 24 Cb 0.40 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.19 0.00 -2.47 -0.78 2.13 0.03 -4.46 120.64 114.90 2kk2 n GLU 25 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2kk2 n GLU 25 Cb 0.36 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.05 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 -0.77 6.39 0.64 4.31 2.47 -0.89 -4.83 114.94 122.26 2kk2 s ASN 26 Ca 0.00 -1.91 0.29 0.00 0.42 0.00 0.00 52.86 51.66 2kk2 s ASN 26 Cb 0.00 -2.58 1.58 0.00 -1.45 0.00 0.00 41.25 38.80 2kk2 s ASN 26 CO 0.00 -1.62 1.92 0.71 -3.72 0.00 0.00 177.10 174.38 2kk2 h THR 27 N 6.16 0.13 0.00 -5.21 1.35 -1.83 -0.39 112.91 113.11 2kk2 h THR 27 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2kk2 h THR 27 Cb 0.93 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2kk2 h THR 27 CO 1.40 0.00 0.25 0.00 -0.25 0.00 0.00 175.52 176.92 2kk2 h ALA 28 N 1.38 1.21 0.00 6.62 0.00 -1.93 -3.31 119.26 123.23 2kk2 h ALA 28 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kk2 h ALA 28 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kk2 h ALA 28 CO -0.00 -0.21 0.00 0.27 0.00 0.00 0.00 179.25 179.31 2kk2 n ASN 29 N -2.44 0.00 -4.77 0.00 2.04 -0.40 -5.16 115.26 104.53 2kk2 n ASN 29 Ca -0.01 0.00 -0.32 0.00 -0.44 0.00 0.00 54.58 53.81 2kk2 n ASN 29 Cb 0.28 0.00 0.07 0.00 -2.53 0.00 0.00 39.78 37.60 2kk2 n ASN 29 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2kk2 n GLY 31 N -1.01 0.68 0.14 0.00 0.00 -1.26 -1.44 105.19 102.30 2kk2 n GLY 31 Ca 0.09 -1.85 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 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 0.72 -0.10 2.61 2.02 -1.85 -1.02 112.91 115.28 2kk2 h THR 32 Ca 0.00 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 2kk2 h THR 32 Cb 0.00 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2kk2 h THR 32 CO 0.00 0.01 -0.30 0.00 0.37 0.00 0.00 175.52 175.60 2kk2 h ALA 33 N 1.30 1.32 0.12 6.16 0.00 -1.92 -1.38 119.26 124.86 2kk2 h ALA 33 Ca 0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kk2 h ALA 33 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kk2 h ALA 33 CO -0.30 0.47 -0.08 0.00 0.00 0.00 0.00 179.25 179.35 2kk2 h ASP 36 N -0.45 0.05 -0.04 0.00 5.19 -1.26 0.25 116.42 120.16 2kk2 h ASP 36 Ca 0.04 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2kk2 h ASP 36 Cb 0.49 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2kk2 h ASP 36 CO -0.17 0.13 0.00 -1.20 -3.12 0.00 0.00 179.24 174.88 2kk2 n SER 37 N -4.42 0.51 0.00 6.45 7.64 -0.29 -4.18 113.62 119.33 2kk2 n SER 37 Ca -0.02 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.45 2kk2 n SER 37 Cb 0.17 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.47 0.42 0.00 0.08 0.76 -2.16 117.98 116.61 2kk2 s PHE 39 Ca 0.00 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.19 2kk2 s PHE 39 Cb 0.00 0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.63 2kk2 s PHE 39 CO 0.00 -0.24 0.06 0.39 -0.10 0.00 0.00 175.22 175.34 2kk2 n GLU 40 N 3.07 0.96 0.00 0.44 -0.58 -1.02 -4.11 120.64 119.40 2kk2 n GLU 40 Ca -0.15 -2.98 0.00 0.00 -0.42 0.00 0.00 57.16 53.61 2kk2 n GLU 40 Cb 0.57 0.71 0.00 0.00 -0.57 0.00 0.00 31.44 32.15 2kk2 n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kk2 n LEU 41 N 0.00 0.00 0.29 -4.62 4.32 -1.26 -0.11 117.00 115.61 2kk2 n LEU 41 Ca -0.14 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.00 2kk2 n LEU 41 Cb 0.52 0.00 0.85 0.00 -1.62 0.00 0.00 43.42 43.18 2kk2 n LEU 41 CO 0.29 0.00 1.05 0.74 -1.22 0.00 0.00 177.39 178.24 2kk2 h THR 42 N 0.00 0.42 -0.15 -5.08 2.02 -2.00 -2.58 112.91 105.54 2kk2 h THR 42 Ca 0.00 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 66.92 2kk2 h THR 42 Cb 0.00 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 2kk2 h THR 42 CO 0.00 0.06 -0.26 1.23 0.37 0.00 0.00 175.52 176.92 2kk2 h GLY 43 N 0.60 -0.28 0.47 2.16 0.00 -1.62 -1.21 103.07 103.18 2kk2 h GLY 43 Ca -0.00 0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.73 2kk2 h GLY 43 CO 0.01 -0.20 0.23 -0.57 0.00 0.00 0.00 176.54 176.00 2kk2 h ASN 44 N -0.32 0.25 -0.46 0.19 -0.73 -0.10 0.12 115.58 114.53 2kk2 h ASN 44 Ca 0.11 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.38 2kk2 h ASN 44 Cb 0.48 0.04 -0.04 0.00 0.27 0.00 0.00 38.32 39.07 2kk2 h ASN 44 CO -0.34 0.16 0.25 0.74 -0.37 0.00 0.00 177.43 177.87 2kk2 h THR 45 N 0.42 1.00 -0.71 -3.57 2.02 -1.42 -0.23 112.91 110.41 2kk2 h THR 45 Ca 0.28 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 2kk2 h THR 45 Cb 0.32 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2kk2 h THR 45 CO -0.27 0.09 0.31 0.24 0.37 0.00 0.00 175.52 176.25 2kk2 h MET 46 N 0.49 1.05 0.18 6.66 2.86 0.20 -0.97 114.93 125.40 2kk2 h MET 46 Ca 0.19 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2kk2 h MET 46 Cb 0.07 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2kk2 h MET 46 CO -0.12 0.85 -0.09 0.00 1.06 0.00 0.00 176.91 178.62 2kk2 h LEU 48 N -0.28 0.59 -0.27 0.00 3.38 -0.93 0.11 115.31 117.92 2kk2 h LEU 48 Ca -0.02 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2kk2 h LEU 48 Cb 0.21 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2kk2 h LEU 48 CO 0.04 0.39 -0.26 -0.07 0.09 0.00 0.00 178.44 178.63 2kk2 h LEU 49 N 0.72 -0.84 -0.05 1.67 3.38 -1.00 -0.92 115.31 118.26 2kk2 h LEU 49 Ca 0.30 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 2kk2 h LEU 49 Cb 0.15 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kk2 h LEU 49 CO -0.16 -0.29 -0.08 -0.61 0.09 0.00 0.00 178.44 177.39 2kk2 h GLN 50 N -0.26 0.15 0.00 1.13 5.75 -0.45 -2.29 115.11 119.13 2kk2 h GLN 50 Ca 0.14 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2kk2 h GLN 50 Cb 0.48 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.04 2kk2 h GLN 50 CO -0.41 0.63 0.07 0.00 -2.65 0.00 0.00 178.83 176.47 2kk2 h ALA 51 N 0.51 1.05 -0.29 3.38 0.00 -0.77 0.41 119.26 123.55 2kk2 h ALA 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kk2 h ALA 51 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kk2 h ALA 51 CO 0.02 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2kk2 n GLY 52 N -1.25 1.48 3.27 0.00 0.00 -0.36 -4.09 105.19 104.24 2kk2 n GLY 52 Ca -0.02 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2kk2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 s ALA 53 N -1.43 3.35 -0.48 4.61 0.00 0.13 -5.02 121.76 122.93 2kk2 s ALA 53 Ca 0.33 -2.26 -0.31 0.00 0.00 0.00 0.00 51.96 49.72 2kk2 s ALA 53 Cb 0.20 -2.76 -0.15 0.00 0.00 0.00 0.00 23.12 20.41 2kk2 s ALA 53 CO 0.28 -1.74 1.74 0.00 0.00 0.00 0.00 175.76 176.04 2kk2 n ALA 54 N 4.95 0.18 0.00 0.00 0.00 -1.26 -0.91 120.51 123.48 2kk2 n ALA 54 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kk2 n ALA 54 Cb 0.42 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 5.52 4.67 0.00 0.00 0.00 -1.26 -5.03 105.19 109.09 2kk2 n GLY 55 Ca 0.44 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.00 -0.07 1.61 7.64 -0.08 -5.06 113.62 117.65 2kk2 n SER 56 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kk2 n SER 56 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.31 0.17 3.65 0.23 0.00 -1.26 -4.79 105.19 104.49 2kk2 n GLY 57 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.01 6.92 0.10 0.00 2.15 -0.52 -4.87 116.67 117.43 2kk2 s ASP 59 Ca 0.20 -2.71 -0.31 0.00 0.43 0.00 0.00 52.55 50.16 2kk2 s ASP 59 Cb -0.02 -2.35 -0.08 0.00 -0.30 0.00 0.00 42.92 40.18 2kk2 s ASP 59 CO 0.09 -0.77 1.41 -0.04 -0.17 0.00 0.00 175.17 175.69 2kk2 s MET 60 N 1.39 4.31 0.00 4.34 -1.94 -1.26 -2.67 119.30 123.47 2kk2 s MET 60 Ca 0.34 2.07 0.00 0.00 -1.71 0.00 0.00 55.69 56.40 2kk2 s MET 60 Cb -0.05 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.47 2kk2 s MET 60 CO -0.06 -0.47 0.15 0.39 -0.01 0.00 0.00 175.02 175.02